2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H18ClNO3 — CID 2856466

IUPAC2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1Cl
InChIInChI=1S/C15H18ClNO3/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyKOOIZLHXFSOYRX-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.48
Rot. Bonds3

About 2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2856466) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2856466
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1Cl
InChIInChI=1S/C15H18ClNO3/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyKOOIZLHXFSOYRX-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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Related Compounds

trans-(1R,2R)-2-[(3,4-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 763889
6-[(3-chloro-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 588270
cis-(1S,2R)-2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093284
2-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43402252
trans-(1S,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 888025
2-[(4-chloro-3-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43402776
2-[(3-chloro-4-methylsulfanylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976871
cis-(1S,2R)-2-[(4-chloro-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 23013496
trans-(1R,2R)-2-[(4-chloro-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 6545205
2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
trans-(1S,2S)-2-[[3-chloro-4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27047469
(1S,2S,3R,4R)-3-[(3-chloro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 110190846

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2856466) is 2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is KOOIZLHXFSOYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(3-chloro-4-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-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2856466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).