1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid

C14H15F2NO3 — CID 24708713

IUPAC1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO3/c15-9-4-5-10(11(16)8-9)12(18)17-14(13(19)20)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,17,18)(H,19,20)
InChIKeyXMRLFQPZJMBYGT-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.48
Rot. Bonds3

About 1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid

1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 24708713) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID24708713
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO3/c15-9-4-5-10(11(16)8-9)12(18)17-14(13(19)20)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,17,18)(H,19,20)
InChIKeyXMRLFQPZJMBYGT-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013377
1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329492
1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61158524
1-[(2,4-difluorobenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290502
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 75402965
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848237
1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460
1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43341197

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid (CID 24708713) is 1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is XMRLFQPZJMBYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c15-9-4-5-10(11(16)8-9)12(18)17-14(13(19)20)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 283.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 24708713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).