3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid

C15H18FNO3 — CID 115923955

IUPAC3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(F)cc(C(=O)NC2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H18FNO3/c1-9-5-11(7-12(16)6-9)14(18)17-13-4-2-3-10(8-13)15(19)20/h5-7,10,13H,2-4,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyMCOYSUCFWJQBCH-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.51
Rot. Bonds3

About 3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid

3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115923955) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115923955
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(F)cc(C(=O)NC2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H18FNO3/c1-9-5-11(7-12(16)6-9)14(18)17-13-4-2-3-10(8-13)15(19)20/h5-7,10,13H,2-4,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyMCOYSUCFWJQBCH-UHFFFAOYSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044539
3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 99618356
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 97068063
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124
cis-(1R,3S)-3-[(3-methyl-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321098
3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013540
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788
3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043266
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147878
3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043138

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 115923955) is 3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(F)cc(C(=O)NC2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MCOYSUCFWJQBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-9-5-11(7-12(16)6-9)14(18)17-13-4-2-3-10(8-13)15(19)20/h5-7,10,13H,2-4,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115923955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).