2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid

C15H16ClNO3 — CID 70360300

IUPAC2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid
SMILESCC1CCCC(C(=O)Nc2ccc(Cl)cc2)=C1C(=O)O
InChIInChI=1S/C15H16ClNO3/c1-9-3-2-4-12(13(9)15(19)20)14(18)17-11-7-5-10(16)6-8-11/h5-9H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyYWUAHFVQPXVSLP-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.48
Rot. Bonds3

About 2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid

2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid (PubChem CID 70360300) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid
PubChem CID70360300
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid
SMILESCC1CCCC(C(=O)Nc2ccc(Cl)cc2)=C1C(=O)O
InChIInChI=1S/C15H16ClNO3/c1-9-3-2-4-12(13(9)15(19)20)14(18)17-11-7-5-10(16)6-8-11/h5-9H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyYWUAHFVQPXVSLP-UHFFFAOYSA-N
XLogP3.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 18979882
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
N-(4-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952332
2-[(3,4-dichlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270474
2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084805
2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812906
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
CID 3710204
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
N-(4-chlorophenyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500174
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid (CID 70360300) is 2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid is CC1CCCC(C(=O)Nc2ccc(Cl)cc2)=C1C(=O)O.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid?
The InChIKey is YWUAHFVQPXVSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-9-3-2-4-12(13(9)15(19)20)14(18)17-11-7-5-10(16)6-8-11/h5-9H,2-4H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid?
2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid has a molecular weight of 293.75 g/mol, XLogP of 3.48, 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]-6-methylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 70360300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).