2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid

C15H20ClNO2 — CID 64761654

IUPAC2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
SMILESCC1CCCC(Nc2ccc(Cl)c(C(=O)O)c2)C1C
InChIInChI=1S/C15H20ClNO2/c1-9-4-3-5-14(10(9)2)17-11-6-7-13(16)12(8-11)15(18)19/h6-10,14,17H,3-5H2,1-2H3,(H,18,19)
InChIKeyPJTNEPICNLROSV-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.27
Rot. Bonds3

About 2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid

2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid (PubChem CID 64761654) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
PubChem CID64761654
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
SMILESCC1CCCC(Nc2ccc(Cl)c(C(=O)O)c2)C1C
InChIInChI=1S/C15H20ClNO2/c1-9-4-3-5-14(10(9)2)17-11-6-7-13(16)12(8-11)15(18)19/h6-10,14,17H,3-5H2,1-2H3,(H,18,19)
InChIKeyPJTNEPICNLROSV-UHFFFAOYSA-N
XLogP4.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N,N-dimethyl-5-[(2-methylcyclopentyl)amino]benzamide
CID 65044373
2-fluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65044578
2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
CID 43713517
3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline
CID 64774712
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid
CID 103561486
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916
2-chloro-5-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123451
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea
CID 64761262
2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 43709780

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid?
The IUPAC name of 2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid (CID 64761654) is 2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid is CC1CCCC(Nc2ccc(Cl)c(C(=O)O)c2)C1C.
What is the InChIKey of 2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid?
The InChIKey is PJTNEPICNLROSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-9-4-3-5-14(10(9)2)17-11-6-7-13(16)12(8-11)15(18)19/h6-10,14,17H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid?
2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid has a molecular weight of 281.78 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid is sourced from PubChem (CID 64761654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).