3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid

C18H18FNO2 — CID 82538291

IUPAC3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid
SMILESO=C(O)c1cc(F)cc(NC2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C18H18FNO2/c19-15-10-13(17(21)22)11-16(12-15)20-18(8-4-5-9-18)14-6-2-1-3-7-14/h1-3,6-7,10-12,20H,4-5,8-9H2,(H,21,22)
InChIKeyGPXMTJBWJPTEQX-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.41
Rot. Bonds4

About 3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid

3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid (PubChem CID 82538291) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid
PubChem CID82538291
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid
SMILESO=C(O)c1cc(F)cc(NC2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C18H18FNO2/c19-15-10-13(17(21)22)11-16(12-15)20-18(8-4-5-9-18)14-6-2-1-3-7-14/h1-3,6-7,10-12,20H,4-5,8-9H2,(H,21,22)
InChIKeyGPXMTJBWJPTEQX-UHFFFAOYSA-N
XLogP4.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid
CID 82538352
2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid
CID 82538354
ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate
CID 110453107
N-hydroxy-4-[(1-phenylcyclopropyl)amino]benzamide
CID 134492107
2,4-difluoro-N-(1-phenylcyclopropyl)aniline
CID 82538377
N-(1-phenylcyclooctyl)hydroxylamine
CID 163440623
2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide
CID 110445807
2-[(1-phenylcyclopropyl)amino]benzoic acid
CID 82538368
N-(1-phenylcyclobutyl)formamide
CID 110477150
N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 110466935
2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride
CID 175015594
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid?
The IUPAC name of 3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid (CID 82538291) is 3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid is O=C(O)c1cc(F)cc(NC2(c3ccccc3)CCCC2)c1.
What is the InChIKey of 3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid?
The InChIKey is GPXMTJBWJPTEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-15-10-13(17(21)22)11-16(12-15)20-18(8-4-5-9-18)14-6-2-1-3-7-14/h1-3,6-7,10-12,20H,4-5,8-9H2,(H,21,22).
What are the key properties of 3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid?
3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid has a molecular weight of 299.35 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid is sourced from PubChem (CID 82538291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).