4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid

C15H19ClN2O3 — CID 64555277

IUPAC4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid
SMILESCC1CCCC(N)(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O3/c1-9-3-2-6-15(17,8-9)14(21)18-10-4-5-11(13(19)20)12(16)7-10/h4-5,7,9H,2-3,6,8,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyOPLOHAIOMAZSHJ-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.88
Rot. Bonds3

About 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid

4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid (PubChem CID 64555277) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid
PubChem CID64555277
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid
SMILESCC1CCCC(N)(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O3/c1-9-3-2-6-15(17,8-9)14(21)18-10-4-5-11(13(19)20)12(16)7-10/h4-5,7,9H,2-3,6,8,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyOPLOHAIOMAZSHJ-UHFFFAOYSA-N
XLogP2.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64548793
1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550233
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide
CID 64551233
1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550833
1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide
CID 64550871
1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 64550053
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid
CID 115435206
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride
CID 119329511
5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid
CID 65464876
2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid
CID 107341108
2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid
CID 119178935

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid?
The IUPAC name of 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid (CID 64555277) is 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid.
What is the SMILES notation for 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid?
The canonical SMILES for 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid is CC1CCCC(N)(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)C1.
What is the InChIKey of 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid?
The InChIKey is OPLOHAIOMAZSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9-3-2-6-15(17,8-9)14(21)18-10-4-5-11(13(19)20)12(16)7-10/h4-5,7,9H,2-3,6,8,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid?
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid has a molecular weight of 310.78 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid is sourced from PubChem (CID 64555277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).