4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid

C15H12FNO4 — CID 60827338

IUPAC4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid
SMILESO=C(Nc1cc(C(=O)O)ccc1F)OCc1ccccc1
InChIInChI=1S/C15H12FNO4/c16-12-7-6-11(14(18)19)8-13(12)17-15(20)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyIQRRWWLKCMXPTK-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.27
Rot. Bonds4

About 4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid

4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid (PubChem CID 60827338) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid
PubChem CID60827338
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid
SMILESO=C(Nc1cc(C(=O)O)ccc1F)OCc1ccccc1
InChIInChI=1S/C15H12FNO4/c16-12-7-6-11(14(18)19)8-13(12)17-15(20)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyIQRRWWLKCMXPTK-UHFFFAOYSA-N
XLogP3.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-(phenylmethoxycarbonylamino)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

benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
4-fluoro-3-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]benzoic acid
CID 103393121
benzyl N-(5-bromo-2-fluorophenyl)carbamate;5-bromo-2-fluorobenzoic acid
CID 158287877
4-chloro-2-(phenylmethoxycarbonylamino)benzoic acid
CID 29299845
3-(4-methylpiperazin-1-yl)-4-(phenylmethoxycarbonylamino)benzoic acid
CID 118536103
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
[4-fluoro-2-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 139269826
methyl 3-amino-4-(phenylmethoxycarbonylamino)benzoate
CID 146261827
[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 44717603
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate
CID 134113794
pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate
CID 117059992

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid?
The IUPAC name of 4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid (CID 60827338) is 4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid?
The canonical SMILES for 4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid is O=C(Nc1cc(C(=O)O)ccc1F)OCc1ccccc1.
What is the InChIKey of 4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid?
The InChIKey is IQRRWWLKCMXPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-12-7-6-11(14(18)19)8-13(12)17-15(20)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid?
4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid has a molecular weight of 289.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid is sourced from PubChem (CID 60827338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).