2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H18ClNO3 — CID 2838477

IUPAC2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1c(Cl)cccc1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H18ClNO3/c1-9-12(16)7-4-8-13(9)17-14(18)10-5-2-3-6-11(10)15(19)20/h4,7-8,10-11H,2-3,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyRTWTUKRXFFPXMB-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.48
Rot. Bonds3

About 2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2838477) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2838477
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1c(Cl)cccc1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H18ClNO3/c1-9-12(16)7-4-8-13(9)17-14(18)10-5-2-3-6-11(10)15(19)20/h4,7-8,10-11H,2-3,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyRTWTUKRXFFPXMB-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 ≤ 500295.77
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2838477) is 2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1c(Cl)cccc1NC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RTWTUKRXFFPXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-9-12(16)7-4-8-13(9)17-14(18)10-5-2-3-6-11(10)15(19)20/h4,7-8,10-11H,2-3,5-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 295.77 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-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2838477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).