2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid

C16H14ClNO3 — CID 2826193

IUPAC2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c17-13-8-6-12(7-9-13)15(19)18-14(16(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,18,19)(H,20,21)
InChIKeyQEVZJOOFVAMXKO-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.77
Rot. Bonds5

About 2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid

2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid (PubChem CID 2826193) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid
PubChem CID2826193
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c17-13-8-6-12(7-9-13)15(19)18-14(16(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,18,19)(H,20,21)
InChIKeyQEVZJOOFVAMXKO-UHFFFAOYSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.77
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]-3-phenylpropanoic acid?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid (CID 2826193) is 2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid is O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid?
The InChIKey is QEVZJOOFVAMXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-13-8-6-12(7-9-13)15(19)18-14(16(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid?
2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid has a molecular weight of 303.75 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 2826193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).