2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid

C22H19NO3 — CID 141286115

IUPAC2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid
SMILESCC(Nc1ccc(C=O)cc1)(C(=O)O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H19NO3/c1-22(21(25)26,23-20-12-10-16(15-24)11-13-20)19-9-5-8-18(14-19)17-6-3-2-4-7-17/h2-15,23H,1H3,(H,25,26)
InChIKeySNUOOLGQZOUVBL-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.58
Rot. Bonds6

About 2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid

2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid (PubChem CID 141286115) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid
PubChem CID141286115
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid
SMILESCC(Nc1ccc(C=O)cc1)(C(=O)O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H19NO3/c1-22(21(25)26,23-20-12-10-16(15-24)11-13-20)19-9-5-8-18(14-19)17-6-3-2-4-7-17/h2-15,23H,1H3,(H,25,26)
InChIKeySNUOOLGQZOUVBL-UHFFFAOYSA-N
XLogP4.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid?
The IUPAC name of 2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid (CID 141286115) is 2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid?
The canonical SMILES for 2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid is CC(Nc1ccc(C=O)cc1)(C(=O)O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid?
The InChIKey is SNUOOLGQZOUVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-22(21(25)26,23-20-12-10-16(15-24)11-13-20)19-9-5-8-18(14-19)17-6-3-2-4-7-17/h2-15,23H,1H3,(H,25,26).
What are the key properties of 2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid?
2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid has a molecular weight of 345.40 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylanilino)-2-(3-phenylphenyl)propanoic acid is sourced from PubChem (CID 141286115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).