4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid

C14H18ClNO2 — CID 63510691

IUPAC4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
SMILESCC1CCC(Nc2cc(Cl)ccc2C(=O)O)CC1
InChIInChI=1S/C14H18ClNO2/c1-9-2-5-11(6-3-9)16-13-8-10(15)4-7-12(13)14(17)18/h4,7-9,11,16H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyNVFSGLXGYRYBBA-UHFFFAOYSA-N
MW267.76 g/mol
LogP4.03
Rot. Bonds3

About 4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid

4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid (PubChem CID 63510691) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
PubChem CID63510691
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
SMILESCC1CCC(Nc2cc(Cl)ccc2C(=O)O)CC1
InChIInChI=1S/C14H18ClNO2/c1-9-2-5-11(6-3-9)16-13-8-10(15)4-7-12(13)14(17)18/h4,7-9,11,16H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyNVFSGLXGYRYBBA-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide
CID 43737618
4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide
CID 65080368
5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline
CID 43438410
4-chloro-2-(oxolan-3-ylamino)benzoic acid
CID 80716241
4-chloro-2-[(1-cyclopropylpyrrolidin-3-yl)amino]benzoic acid
CID 63081661
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid
CID 114550813
4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid
CID 63082756
4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid
CID 63081988
5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
CID 55138471
2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 79730315
2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid (CID 63510691) is 4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid is CC1CCC(Nc2cc(Cl)ccc2C(=O)O)CC1.
What is the InChIKey of 4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid?
The InChIKey is NVFSGLXGYRYBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-2-5-11(6-3-9)16-13-8-10(15)4-7-12(13)14(17)18/h4,7-9,11,16H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of 4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid?
4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid has a molecular weight of 267.76 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid is sourced from PubChem (CID 63510691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).