4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H15ClN2O3 — CID 63782603

IUPAC4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESN#Cc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1Cl
InChIInChI=1S/C15H15ClN2O3/c16-13-7-12(6-5-11(13)8-17)18-14(19)9-1-3-10(4-2-9)15(20)21/h5-7,9-10H,1-4H2,(H,18,19)(H,20,21)
InChIKeyDGCPIDSDJMUYIG-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.04
Rot. Bonds3

About 4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63782603) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63782603
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESN#Cc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1Cl
InChIInChI=1S/C15H15ClN2O3/c16-13-7-12(6-5-11(13)8-17)18-14(19)9-1-3-10(4-2-9)15(20)21/h5-7,9-10H,1-4H2,(H,18,19)(H,20,21)
InChIKeyDGCPIDSDJMUYIG-UHFFFAOYSA-N
XLogP3.04
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43402252
3-(3-chloro-4-cyanoanilino)cyclopentane-1-carboxylic acid
CID 66032184
(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
CID 900578
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32960391
N-(3-chloro-4-cyanophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63715589
2-[(4-chloro-3-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43402776
N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
CID 63005956
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
1-[(3-chloro-4-cyanophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781746
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672558
N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26715661

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63782603) is 4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid is N#Cc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is DGCPIDSDJMUYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-13-7-12(6-5-11(13)8-17)18-14(19)9-1-3-10(4-2-9)15(20)21/h5-7,9-10H,1-4H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).