2-(5-acetamido-2-phenylphenyl)acetic acid

C16H15NO3 — CID 11708801

IUPAC2-(5-acetamido-2-phenylphenyl)acetic acid
SMILESCC(=O)Nc1ccc(-c2ccccc2)c(CC(=O)O)c1
InChIInChI=1S/C16H15NO3/c1-11(18)17-14-7-8-15(12-5-3-2-4-6-12)13(9-14)10-16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyJXJDLDUZUZPIIM-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.94
Rot. Bonds4

About 2-(5-acetamido-2-phenylphenyl)acetic acid

2-(5-acetamido-2-phenylphenyl)acetic acid (PubChem CID 11708801) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(5-acetamido-2-phenylphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-acetamido-2-phenylphenyl)acetic acid
PubChem CID11708801
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-(5-acetamido-2-phenylphenyl)acetic acid
SMILESCC(=O)Nc1ccc(-c2ccccc2)c(CC(=O)O)c1
InChIInChI=1S/C16H15NO3/c1-11(18)17-14-7-8-15(12-5-3-2-4-6-12)13(9-14)10-16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyJXJDLDUZUZPIIM-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-phenylphenyl)acetic acid?
The IUPAC name of 2-(5-acetamido-2-phenylphenyl)acetic acid (CID 11708801) is 2-(5-acetamido-2-phenylphenyl)acetic acid.
What is the SMILES notation for 2-(5-acetamido-2-phenylphenyl)acetic acid?
The canonical SMILES for 2-(5-acetamido-2-phenylphenyl)acetic acid is CC(=O)Nc1ccc(-c2ccccc2)c(CC(=O)O)c1.
What is the InChIKey of 2-(5-acetamido-2-phenylphenyl)acetic acid?
The InChIKey is JXJDLDUZUZPIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11(18)17-14-7-8-15(12-5-3-2-4-6-12)13(9-14)10-16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(5-acetamido-2-phenylphenyl)acetic acid?
2-(5-acetamido-2-phenylphenyl)acetic acid has a molecular weight of 269.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-phenylphenyl)acetic acid is sourced from PubChem (CID 11708801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).