2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid

C22H19NO3 — CID 3068542

IUPAC2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid
SMILESO=C(O)C(c1ccccc1)N(C(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3/c24-20(16-17-10-4-1-5-11-17)23(19-14-8-3-9-15-19)21(22(25)26)18-12-6-2-7-13-18/h1-15,21H,16H2,(H,25,26)
InChIKeyPMIDFFWDKPBWLC-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.09
Rot. Bonds6

About 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid

2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid (PubChem CID 3068542) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid
PubChem CID3068542
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid
SMILESO=C(O)C(c1ccccc1)N(C(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3/c24-20(16-17-10-4-1-5-11-17)23(19-14-8-3-9-15-19)21(22(25)26)18-12-6-2-7-13-18/h1-15,21H,16H2,(H,25,26)
InChIKeyPMIDFFWDKPBWLC-UHFFFAOYSA-N
XLogP4.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid?
The IUPAC name of 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid (CID 3068542) is 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid.
What is the SMILES notation for 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid?
The canonical SMILES for 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid is O=C(O)C(c1ccccc1)N(C(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid?
The InChIKey is PMIDFFWDKPBWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-20(16-17-10-4-1-5-11-17)23(19-14-8-3-9-15-19)21(22(25)26)18-12-6-2-7-13-18/h1-15,21H,16H2,(H,25,26).
What are the key properties of 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid?
2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid has a molecular weight of 345.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid is sourced from PubChem (CID 3068542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).