5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid

C15H18FNO3 — CID 106826165

IUPAC5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
SMILESCC1(C(=O)Nc2ccc(F)cc2C(=O)O)CCCCC1
InChIInChI=1S/C15H18FNO3/c1-15(7-3-2-4-8-15)14(20)17-12-6-5-10(16)9-11(12)13(18)19/h5-6,9H,2-4,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyBQINUBVZPCRUNL-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.43
Rot. Bonds3

About 5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid

5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid (PubChem CID 106826165) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
PubChem CID106826165
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
SMILESCC1(C(=O)Nc2ccc(F)cc2C(=O)O)CCCCC1
InChIInChI=1S/C15H18FNO3/c1-15(7-3-2-4-8-15)14(20)17-12-6-5-10(16)9-11(12)13(18)19/h5-6,9H,2-4,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyBQINUBVZPCRUNL-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826163
N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide
CID 22956373
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoic acid
CID 113312903
5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 63831445
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106828189
5-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131916
2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid
CID 64677158
4,5-difluoro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63132812
N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 106829495
N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
CID 102261285
4-fluoro-3-[(1-methylcyclobutanecarbonyl)amino]benzoic acid
CID 120530218
2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 61157387

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid (CID 106826165) is 5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid is CC1(C(=O)Nc2ccc(F)cc2C(=O)O)CCCCC1.
What is the InChIKey of 5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid?
The InChIKey is BQINUBVZPCRUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-15(7-3-2-4-8-15)14(20)17-12-6-5-10(16)9-11(12)13(18)19/h5-6,9H,2-4,7-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid?
5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid has a molecular weight of 279.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid is sourced from PubChem (CID 106826165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).