4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid

C15H18ClNO3 — CID 81323289

IUPAC4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(Cl)cc(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H18ClNO3/c1-9-6-11(8-12(16)7-9)14(18)17-13-4-2-10(3-5-13)15(19)20/h6-8,10,13H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyZPILSAHFLXRFLE-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.02
Rot. Bonds3

About 4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid

4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 81323289) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID81323289
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(Cl)cc(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H18ClNO3/c1-9-6-11(8-12(16)7-9)14(18)17-13-4-2-10(3-5-13)15(19)20/h6-8,10,13H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyZPILSAHFLXRFLE-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 82811425
4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114818826
3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652880
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide
CID 81323198
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
cis-(1R,3S)-3-[(3-methyl-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321098
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 166270100
N-[4-(ethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 43653349

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 81323289) is 4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(Cl)cc(C(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZPILSAHFLXRFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-9-6-11(8-12(16)7-9)14(18)17-13-4-2-10(3-5-13)15(19)20/h6-8,10,13H,2-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 295.77 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81323289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).