2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid

C15H12ClNO3 — CID 587179

IUPAC2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO3/c16-12-8-6-11(7-9-12)14(18)17-13(15(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)(H,19,20)
InChIKeyVVIKSKSTDNEWKR-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.90
Rot. Bonds4

About 2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid

2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid (PubChem CID 587179) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid
PubChem CID587179
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO3/c16-12-8-6-11(7-9-12)14(18)17-13(15(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)(H,19,20)
InChIKeyVVIKSKSTDNEWKR-UHFFFAOYSA-N
XLogP2.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid (CID 587179) is 2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is VVIKSKSTDNEWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-12-8-6-11(7-9-12)14(18)17-13(15(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid?
2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid has a molecular weight of 289.72 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 587179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).