3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid

C20H16FNO2 — CID 171344014

IUPAC3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid
SMILESO=C(O)c1cc(F)cc(NCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H16FNO2/c21-18-10-17(20(23)24)11-19(12-18)22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12,22H,13H2,(H,23,24)
InChIKeyWLSNXCFZVAKOMB-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.80
Rot. Bonds5

About 3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid

3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid (PubChem CID 171344014) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is 3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid
PubChem CID171344014
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid
SMILESO=C(O)c1cc(F)cc(NCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H16FNO2/c21-18-10-17(20(23)24)11-19(12-18)22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12,22H,13H2,(H,23,24)
InChIKeyWLSNXCFZVAKOMB-UHFFFAOYSA-N
XLogP4.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid?
The IUPAC name of 3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid (CID 171344014) is 3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid.
What is the SMILES notation for 3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid?
The canonical SMILES for 3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid is O=C(O)c1cc(F)cc(NCc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid?
The InChIKey is WLSNXCFZVAKOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c21-18-10-17(20(23)24)11-19(12-18)22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12,22H,13H2,(H,23,24).
What are the key properties of 3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid?
3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid has a molecular weight of 321.35 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(4-phenylphenyl)methylamino]benzoic acid is sourced from PubChem (CID 171344014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).