2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide

C16H13NO3 — CID 2309780

IUPAC2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide
SMILESO=C(/C=C/c1ccccc1)NC(=O)c1ccccc1O
InChIInChI=1S/C16H13NO3/c18-14-9-5-4-8-13(14)16(20)17-15(19)11-10-12-6-2-1-3-7-12/h1-11,18H,(H,17,19,20)/b11-10+
InChIKeyXQJNIXGRPDHYCN-ZHACJKMWSA-N
MW267.28 g/mol
LogP2.36
Rot. Bonds3

About 2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide

2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide (PubChem CID 2309780) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide
PubChem CID2309780
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide
SMILESO=C(/C=C/c1ccccc1)NC(=O)c1ccccc1O
InChIInChI=1S/C16H13NO3/c18-14-9-5-4-8-13(14)16(20)17-15(19)11-10-12-6-2-1-3-7-12/h1-11,18H,(H,17,19,20)/b11-10+
InChIKeyXQJNIXGRPDHYCN-ZHACJKMWSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide (CID 2309780) is 2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide is O=C(/C=C/c1ccccc1)NC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide?
The InChIKey is XQJNIXGRPDHYCN-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H13NO3/c18-14-9-5-4-8-13(14)16(20)17-15(19)11-10-12-6-2-1-3-7-12/h1-11,18H,(H,17,19,20)/b11-10+.
What are the key properties of 2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide?
2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide has a molecular weight of 267.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-3-phenylprop-2-enoyl]benzamide is sourced from PubChem (CID 2309780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).