4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid

C23H19NO3 — CID 67344525

IUPAC4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid
SMILESO=C(CC=Cc1ccccc1)Nc1cc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C23H19NO3/c25-22(13-7-10-17-8-3-1-4-9-17)24-21-16-19(14-15-20(21)23(26)27)18-11-5-2-6-12-18/h1-12,14-16H,13H2,(H,24,25)(H,26,27)
InChIKeyJYCOYDFFQZCLFI-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.09
Rot. Bonds6

About 4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid

4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid (PubChem CID 67344525) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid.

Molecular Properties

Compound Name4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid
PubChem CID67344525
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid
SMILESO=C(CC=Cc1ccccc1)Nc1cc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C23H19NO3/c25-22(13-7-10-17-8-3-1-4-9-17)24-21-16-19(14-15-20(21)23(26)27)18-11-5-2-6-12-18/h1-12,14-16H,13H2,(H,24,25)(H,26,27)
InChIKeyJYCOYDFFQZCLFI-UHFFFAOYSA-N
XLogP5.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-phenylbenzoic acid
CID 67342565
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-4-phenylbenzoic acid
CID 67344097
2-(3-aminohexanoylamino)-4-phenylbenzoic acid
CID 57284160
2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-4-phenylbenzoic acid
CID 69331362
4-chloro-2-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]benzoic acid
CID 164612116
4-phenylbut-3-enehydrazide
CID 173237990
2-(2-hydroxyanilino)-4-phenylbenzoic acid
CID 68960538
5-phenyl-2-(propanoylamino)benzoic acid
CID 155717934
4-(2,4-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 67343940
(E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide
CID 62706949
2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
CID 67343264

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid?
The IUPAC name of 4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid (CID 67344525) is 4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid.
What is the SMILES notation for 4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid?
The canonical SMILES for 4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid is O=C(CC=Cc1ccccc1)Nc1cc(-c2ccccc2)ccc1C(=O)O.
What is the InChIKey of 4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid?
The InChIKey is JYCOYDFFQZCLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-22(13-7-10-17-8-3-1-4-9-17)24-21-16-19(14-15-20(21)23(26)27)18-11-5-2-6-12-18/h1-12,14-16H,13H2,(H,24,25)(H,26,27).
What are the key properties of 4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid?
4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid has a molecular weight of 357.41 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(4-phenylbut-3-enoylamino)benzoic acid is sourced from PubChem (CID 67344525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).