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

C14H17FN2O3 — CID 114548882

IUPAC4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
SMILESCC1CCC(NC(=O)Nc2cc(F)ccc2C(=O)O)C1
InChIInChI=1S/C14H17FN2O3/c1-8-2-4-10(6-8)16-14(20)17-12-7-9(15)3-5-11(12)13(18)19/h3,5,7-8,10H,2,4,6H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyRVXFPUUURSBMOC-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.83
Rot. Bonds3

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

4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid (PubChem CID 114548882) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
PubChem CID114548882
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
SMILESCC1CCC(NC(=O)Nc2cc(F)ccc2C(=O)O)C1
InChIInChI=1S/C14H17FN2O3/c1-8-2-4-10(6-8)16-14(20)17-12-7-9(15)3-5-11(12)13(18)19/h3,5,7-8,10H,2,4,6H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyRVXFPUUURSBMOC-UHFFFAOYSA-N
XLogP2.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548823
2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548831
4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62358546
2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467363
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
3-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043354
5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414704
3,5-dichloro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548806
2-(3,3-dimethylbutan-2-ylcarbamoylamino)-4-fluorobenzoic acid
CID 104829407
2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61194866
2-fluoro-5-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61185098

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid?
The IUPAC name of 4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid (CID 114548882) is 4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid is CC1CCC(NC(=O)Nc2cc(F)ccc2C(=O)O)C1.
What is the InChIKey of 4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid?
The InChIKey is RVXFPUUURSBMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-8-2-4-10(6-8)16-14(20)17-12-7-9(15)3-5-11(12)13(18)19/h3,5,7-8,10H,2,4,6H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid?
4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 114548882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).