3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid

C25H18FNO2 — CID 122695501

IUPAC3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid
SMILESO=C(O)c1cc(F)cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C25H18FNO2/c26-21-16-19(15-20(17-21)25(28)29)18-11-13-24(14-12-18)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-17H,(H,28,29)
InChIKeyZRRADMPCGMIXQU-UHFFFAOYSA-N
MW383.42 g/mol
LogP6.66
Rot. Bonds5

About 3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid

3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid (PubChem CID 122695501) has the molecular formula C25H18FNO2 and a molecular weight of 383.42 g/mol. Its IUPAC name is 3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid
PubChem CID122695501
Molecular FormulaC25H18FNO2
Molecular Weight383.42 g/mol
Exact Mass383.13
IUPAC Name3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid
SMILESO=C(O)c1cc(F)cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C25H18FNO2/c26-21-16-19(15-20(17-21)25(28)29)18-11-13-24(14-12-18)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-17H,(H,28,29)
InChIKeyZRRADMPCGMIXQU-UHFFFAOYSA-N
XLogP6.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.42
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]ethanone
CID 90161708
3-[4-(carboxymethyl)phenyl]-5-fluorobenzoic acid
CID 70699869
N,N-diphenyl-4-[3-phenyl-5-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 121368277
3-fluoro-5-(N-methylanilino)benzoic acid
CID 82537620
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
3-(N-[4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-(N-(3-carboxyphenyl)anilino)anilino]anilino]anilino]phenyl]anilino)benzoic acid
CID 101061815
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid?
The IUPAC name of 3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid (CID 122695501) is 3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid.
What is the SMILES notation for 3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid?
The canonical SMILES for 3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid is O=C(O)c1cc(F)cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of 3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid?
The InChIKey is ZRRADMPCGMIXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FNO2/c26-21-16-19(15-20(17-21)25(28)29)18-11-13-24(14-12-18)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-17H,(H,28,29).
What are the key properties of 3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid?
3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid has a molecular weight of 383.42 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid is sourced from PubChem (CID 122695501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).