3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid

C13H14ClNO3 — CID 103549836

IUPAC3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H14ClNO3/c14-10-2-1-3-11(7-10)15-12(16)8-4-5-9(6-8)13(17)18/h1-3,7-9H,4-6H2,(H,15,16)(H,17,18)
InChIKeyIRDBUDBCEXGART-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.78
Rot. Bonds3

About 3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103549836) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103549836
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H14ClNO3/c14-10-2-1-3-11(7-10)15-12(16)8-4-5-9(6-8)13(17)18/h1-3,7-9H,4-6H2,(H,15,16)(H,17,18)
InChIKeyIRDBUDBCEXGART-UHFFFAOYSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549960
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549959
3-[(3-chlorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 17386945
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550191
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 56951740

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103549836) is 3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of 3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is IRDBUDBCEXGART-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-10-2-1-3-11(7-10)15-12(16)8-4-5-9(6-8)13(17)18/h1-3,7-9H,4-6H2,(H,15,16)(H,17,18).
What are the key properties of 3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 267.71 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).