1-(2-chloroanilino)cycloheptane-1-carboxylic acid

C14H18ClNO2 — CID 60990839

IUPAC1-(2-chloroanilino)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2Cl)CCCCCC1
InChIInChI=1S/C14H18ClNO2/c15-11-7-3-4-8-12(11)16-14(13(17)18)9-5-1-2-6-10-14/h3-4,7-8,16H,1-2,5-6,9-10H2,(H,17,18)
InChIKeyNUCWNWKFKQBWSV-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.93
Rot. Bonds3

About 1-(2-chloroanilino)cycloheptane-1-carboxylic acid

1-(2-chloroanilino)cycloheptane-1-carboxylic acid (PubChem CID 60990839) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(2-chloroanilino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloroanilino)cycloheptane-1-carboxylic acid
PubChem CID60990839
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(2-chloroanilino)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2Cl)CCCCCC1
InChIInChI=1S/C14H18ClNO2/c15-11-7-3-4-8-12(11)16-14(13(17)18)9-5-1-2-6-10-14/h3-4,7-8,16H,1-2,5-6,9-10H2,(H,17,18)
InChIKeyNUCWNWKFKQBWSV-UHFFFAOYSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloroanilino)cycloheptane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chloroanilino)thiane-4-carboxylic acid
CID 61319012
1-(2-chloroanilino)cycloheptane-1-carboxamide
CID 54892250
1-(2-chloroanilino)cyclooctane-1-carboxamide
CID 54892443
1-(2-bromoanilino)cyclohexane-1-carboxylic acid
CID 60992832
3-(2-chloroanilino)oxolane-3-carboxylic acid
CID 63333124
1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
CID 60993611
1-(3-chloro-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 104835137
1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid
CID 61291221
1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid
CID 61292362
1-(2-bromoanilino)cyclobutane-1-carboxylic acid
CID 62389463
1-(2-chloroanilino)-3,4-dimethylcyclohexane-1-carboxylic acid
CID 64745463
ethyl 1-(2-chloroanilino)cyclobutane-1-carboxylate
CID 55067667

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroanilino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(2-chloroanilino)cycloheptane-1-carboxylic acid (CID 60990839) is 1-(2-chloroanilino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(2-chloroanilino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(2-chloroanilino)cycloheptane-1-carboxylic acid is O=C(O)C1(Nc2ccccc2Cl)CCCCCC1.
What is the InChIKey of 1-(2-chloroanilino)cycloheptane-1-carboxylic acid?
The InChIKey is NUCWNWKFKQBWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-11-7-3-4-8-12(11)16-14(13(17)18)9-5-1-2-6-10-14/h3-4,7-8,16H,1-2,5-6,9-10H2,(H,17,18).
What are the key properties of 1-(2-chloroanilino)cycloheptane-1-carboxylic acid?
1-(2-chloroanilino)cycloheptane-1-carboxylic acid has a molecular weight of 267.76 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroanilino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 60990839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).