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

C15H18ClNO3 — CID 63194787

IUPAC4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1Cl
InChIInChI=1S/C15H18ClNO3/c1-9-2-3-11(8-13(9)16)14(18)17-12-6-4-10(5-7-12)15(19)20/h2-3,8,10,12H,4-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyFJEBPCYQERNMGG-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.02
Rot. Bonds3

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

4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63194787) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63194787
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1Cl
InChIInChI=1S/C15H18ClNO3/c1-9-2-3-11(8-13(9)16)14(18)17-12-6-4-10(5-7-12)15(19)20/h2-3,8,10,12H,4-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyFJEBPCYQERNMGG-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

4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 82811425
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64815140
4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81323289
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide
CID 75399365
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
4-[(3-chloro-4-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209119
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114818826
cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678433

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 63194787) is 4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is Cc1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is FJEBPCYQERNMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-9-2-3-11(8-13(9)16)14(18)17-12-6-4-10(5-7-12)15(19)20/h2-3,8,10,12H,4-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-chloro-4-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-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63194787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).