2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate

C14H15ClNO3- — CID 4744720

IUPAC2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESO=C([O-])C1CCCCC1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)/p-1
InChIKeyIASQCMHOTKBIGQ-UHFFFAOYSA-M
MW280.73 g/mol
LogP1.83
Rot. Bonds3

About 2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate

2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate (PubChem CID 4744720) has the molecular formula C14H15ClNO3- and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate
PubChem CID4744720
Molecular FormulaC14H15ClNO3-
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESO=C([O-])C1CCCCC1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)/p-1
InChIKeyIASQCMHOTKBIGQ-UHFFFAOYSA-M
XLogP1.83
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium cis-(1R,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 56972207
trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6592948
trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6991180
trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6964103
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
4-[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]benzoate
CID 6944194
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6950908
cis-(1R,2S)-2-[[2-[(3-chlorophenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982056
trans-(1R,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7312282
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
trans-(1S,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 888025

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of 2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate (CID 4744720) is 2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate is O=C([O-])C1CCCCC1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is IASQCMHOTKBIGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16ClNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)/p-1.
What are the key properties of 2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate?
2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 280.73 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 4744720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).