Compound Identification
SMILES
CC(C)CN(C[C@@H]1CN(C[C@@H](O)COC(C)C)CCO1)C(=O)C1=CC(F)=CC=C1
InChIKey
InChIKey=KAOOBNLSSGLNNX-RTWAWAEBSA-N
Formula
C22H35FN2O4
Mass
410.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Morpholines Tertiary carboxylic acid amides Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Morpholine - Oxazinane - Tertiary carboxylic acid amide - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available