2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid

C22H19NO3 — CID 87093973

IUPAC2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(-c2ccccc2)c1Nc1ccccc1C=O
InChIInChI=1S/C22H19NO3/c1-15(22(25)26)18-11-7-12-19(16-8-3-2-4-9-16)21(18)23-20-13-6-5-10-17(20)14-24/h2-15,23H,1H3,(H,25,26)
InChIKeyBGIBVTSFMOMMON-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.10
Rot. Bonds6

About 2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid

2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid (PubChem CID 87093973) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid
PubChem CID87093973
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(-c2ccccc2)c1Nc1ccccc1C=O
InChIInChI=1S/C22H19NO3/c1-15(22(25)26)18-11-7-12-19(16-8-3-2-4-9-16)21(18)23-20-13-6-5-10-17(20)14-24/h2-15,23H,1H3,(H,25,26)
InChIKeyBGIBVTSFMOMMON-UHFFFAOYSA-N
XLogP5.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
2-(5-phenylnaphthalen-1-yl)propanoic acid
CID 21450414
2-(2-amino-3-phenylphenyl)propanoic acid
CID 68810052
2-(2-ethoxy-3-formylphenyl)propanoic acid
CID 134658416
(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7762821
(2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate
CID 11694852
2,6-diphenyl-N-(2-phenylphenyl)aniline
CID 175811006
2-formyl-6-phenylbenzoic acid
CID 18003803
2-[2-(3-fluorophenyl)phenyl]propanoic acid
CID 19601785
2-(2-formylanilino)benzoic acid
CID 54432432
N-(2-formylphenyl)-2-methylpropanamide
CID 54327705
2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid
CID 67119213

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid?
The IUPAC name of 2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid (CID 87093973) is 2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid.
What is the SMILES notation for 2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid?
The canonical SMILES for 2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid is CC(C(=O)O)c1cccc(-c2ccccc2)c1Nc1ccccc1C=O.
What is the InChIKey of 2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid?
The InChIKey is BGIBVTSFMOMMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-15(22(25)26)18-11-7-12-19(16-8-3-2-4-9-16)21(18)23-20-13-6-5-10-17(20)14-24/h2-15,23H,1H3,(H,25,26).
What are the key properties of 2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid?
2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid has a molecular weight of 345.40 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid is sourced from PubChem (CID 87093973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).