5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid

C15H19FN2O3 — CID 107414704

IUPAC5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
SMILESCC1CCC(CNC(=O)Nc2ccc(F)cc2C(=O)O)C1
InChIInChI=1S/C15H19FN2O3/c1-9-2-3-10(6-9)8-17-15(21)18-13-5-4-11(16)7-12(13)14(19)20/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyUDEWKZZWAHRJKP-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.08
Rot. Bonds4

About 5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid

5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid (PubChem CID 107414704) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
PubChem CID107414704
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
SMILESCC1CCC(CNC(=O)Nc2ccc(F)cc2C(=O)O)C1
InChIInChI=1S/C15H19FN2O3/c1-9-2-3-10(6-9)8-17-15(21)18-13-5-4-11(16)7-12(13)14(19)20/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyUDEWKZZWAHRJKP-UHFFFAOYSA-N
XLogP3.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid
CID 113305078
5-chloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182658
2-bromo-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414553
4,5-difluoro-2-[(3-methylcyclopentyl)methylcarbamoyl]benzoic acid
CID 107411339
3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 107414579
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
CID 3873240
5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 63831445
4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548882
2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid
CID 61481026
5-fluoro-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]benzoic acid
CID 61202309
5-fluoro-2-(2-propan-2-yloxyethylcarbamoylamino)benzoic acid
CID 104763722
5-fluoro-2-(3-methylsulfanylpropylcarbamoylamino)benzoic acid
CID 63957731

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid (CID 107414704) is 5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid is CC1CCC(CNC(=O)Nc2ccc(F)cc2C(=O)O)C1.
What is the InChIKey of 5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The InChIKey is UDEWKZZWAHRJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-2-3-10(6-9)8-17-15(21)18-13-5-4-11(16)7-12(13)14(19)20/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid has a molecular weight of 294.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid is sourced from PubChem (CID 107414704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).