2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H17F2NO3 — CID 103584586

IUPAC2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(F)c(NC(=O)C2CCCCC2C(=O)O)cc1F
InChIInChI=1S/C15H17F2NO3/c1-8-6-12(17)13(7-11(8)16)18-14(19)9-4-2-3-5-10(9)15(20)21/h6-7,9-10H,2-5H2,1H3,(H,18,19)(H,20,21)
InChIKeyRAZJWGCWYGVVFS-UHFFFAOYSA-N
MW297.30 g/mol
LogP3.10
Rot. Bonds3

About 2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 103584586) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID103584586
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(F)c(NC(=O)C2CCCCC2C(=O)O)cc1F
InChIInChI=1S/C15H17F2NO3/c1-8-6-12(17)13(7-11(8)16)18-14(19)9-4-2-3-5-10(9)15(20)21/h6-7,9-10H,2-5H2,1H3,(H,18,19)(H,20,21)
InChIKeyRAZJWGCWYGVVFS-UHFFFAOYSA-N
XLogP3.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 102852552
trans-(1S,2S)-2-[[4-[4-[[(1R,2S)-2-carboxycyclohexanecarbonyl]amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51622080
2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977022
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007
3-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]-4-methylbenzoic acid
CID 874638
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065
2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688939
4-methyl-2-[(2,4,5-trifluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390949
2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61403717
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107571596
cis-(1S,2R)-2-[[2-[(2,4-difluorophenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 981866
2-[[2-[(2,4-difluorophenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 56696815

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 103584586) is 2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1cc(F)c(NC(=O)C2CCCCC2C(=O)O)cc1F.
What is the InChIKey of 2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RAZJWGCWYGVVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-8-6-12(17)13(7-11(8)16)18-14(19)9-4-2-3-5-10(9)15(20)21/h6-7,9-10H,2-5H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 297.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103584586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).