4-fluoro-3-(2-phenylpropylamino)benzoic acid

C16H16FNO2 — CID 43728030

IUPAC4-fluoro-3-(2-phenylpropylamino)benzoic acid
SMILESCC(CNc1cc(C(=O)O)ccc1F)c1ccccc1
InChIInChI=1S/C16H16FNO2/c1-11(12-5-3-2-4-6-12)10-18-15-9-13(16(19)20)7-8-14(15)17/h2-9,11,18H,10H2,1H3,(H,19,20)
InChIKeyKRWAUQPCQKINBB-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.74
Rot. Bonds5

About 4-fluoro-3-(2-phenylpropylamino)benzoic acid

4-fluoro-3-(2-phenylpropylamino)benzoic acid (PubChem CID 43728030) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-fluoro-3-(2-phenylpropylamino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(2-phenylpropylamino)benzoic acid
PubChem CID43728030
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name4-fluoro-3-(2-phenylpropylamino)benzoic acid
SMILESCC(CNc1cc(C(=O)O)ccc1F)c1ccccc1
InChIInChI=1S/C16H16FNO2/c1-11(12-5-3-2-4-6-12)10-18-15-9-13(16(19)20)7-8-14(15)17/h2-9,11,18H,10H2,1H3,(H,19,20)
InChIKeyKRWAUQPCQKINBB-UHFFFAOYSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-3-(2-phenylpropylamino)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-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzoic acid
CID 107441688
4-fluoro-3-[(2-methyl-1-phenylpropyl)amino]benzoic acid
CID 43787604
3-(2-phenylpropylamino)benzoic acid
CID 43139349
3-[(2-ethylphenyl)methylamino]-4-fluorobenzoic acid
CID 62391430
5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline
CID 102853196
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzoic acid
CID 102868800
2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline
CID 43725067
4-fluoro-3-(2,2,4-trimethylpentanoylamino)benzoic acid
CID 120688320
5-amino-2-(2-phenylpropylamino)benzoic acid
CID 104592149
4-bromo-2-(2-phenylpropylamino)benzoic acid
CID 114907492
methyl 5-chloro-2-(2-phenylpropylamino)benzoate
CID 43678738
4-fluoro-3-(heptylamino)benzoic acid
CID 43728150

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-phenylpropylamino)benzoic acid?
The IUPAC name of 4-fluoro-3-(2-phenylpropylamino)benzoic acid (CID 43728030) is 4-fluoro-3-(2-phenylpropylamino)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(2-phenylpropylamino)benzoic acid?
The canonical SMILES for 4-fluoro-3-(2-phenylpropylamino)benzoic acid is CC(CNc1cc(C(=O)O)ccc1F)c1ccccc1.
What is the InChIKey of 4-fluoro-3-(2-phenylpropylamino)benzoic acid?
The InChIKey is KRWAUQPCQKINBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11(12-5-3-2-4-6-12)10-18-15-9-13(16(19)20)7-8-14(15)17/h2-9,11,18H,10H2,1H3,(H,19,20).
What are the key properties of 4-fluoro-3-(2-phenylpropylamino)benzoic acid?
4-fluoro-3-(2-phenylpropylamino)benzoic acid has a molecular weight of 273.31 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-phenylpropylamino)benzoic acid is sourced from PubChem (CID 43728030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).