4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid

C15H19FN2O3 — CID 61190333

IUPAC4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
SMILESCC1CCCCC1NC(=O)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C15H19FN2O3/c1-9-4-2-3-5-12(9)17-15(21)18-13-8-10(14(19)20)6-7-11(13)16/h6-9,12H,2-5H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQDBYQPQMZOVIDW-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.22
Rot. Bonds3

About 4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid

4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid (PubChem CID 61190333) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
PubChem CID61190333
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
SMILESCC1CCCCC1NC(=O)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C15H19FN2O3/c1-9-4-2-3-5-12(9)17-15(21)18-13-8-10(14(19)20)6-7-11(13)16/h6-9,12H,2-5H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQDBYQPQMZOVIDW-UHFFFAOYSA-N
XLogP3.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
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4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
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3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid
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4-fluoro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
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1-(5-chloro-2-fluorophenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid?
The IUPAC name of 4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid (CID 61190333) is 4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid is CC1CCCCC1NC(=O)Nc1cc(C(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid?
The InChIKey is QDBYQPQMZOVIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-4-2-3-5-12(9)17-15(21)18-13-8-10(14(19)20)6-7-11(13)16/h6-9,12H,2-5H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid?
4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid has a molecular weight of 294.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 61190333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).