2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid

C14H14ClNO3 — CID 18979882

IUPAC2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H14ClNO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8H,1-4H2,(H,16,17)(H,18,19)
InChIKeyRVCPUBZCZDSGMB-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.23
Rot. Bonds3

About 2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid

2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid (PubChem CID 18979882) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
PubChem CID18979882
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H14ClNO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8H,1-4H2,(H,16,17)(H,18,19)
InChIKeyRVCPUBZCZDSGMB-UHFFFAOYSA-N
XLogP3.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812906
2-[(3,4-dichlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270474
2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid
CID 70360300
2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084805
2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270897
2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 68838847
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid
CID 19058101
2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 69220103
2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 137436494
cyclohexene-1,2-dicarboxylic acid
CID 6958
2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084833

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid (CID 18979882) is 2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid is O=C(O)C1=C(C(=O)Nc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid?
The InChIKey is RVCPUBZCZDSGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8H,1-4H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid?
2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid has a molecular weight of 279.72 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid is sourced from PubChem (CID 18979882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).