2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

C16H14N2O2 — CID 675843

IUPAC2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H14N2O2/c17-16(20)13-8-4-5-9-14(13)18-15(19)11-10-12-6-2-1-3-7-12/h1-11H,(H2,17,20)(H,18,19)/b11-10+
InChIKeyIQILKLTVDIIKTK-ZHACJKMWSA-N
MW266.30 g/mol
LogP2.44
Rot. Bonds4

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

2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (PubChem CID 675843) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
PubChem CID675843
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H14N2O2/c17-16(20)13-8-4-5-9-14(13)18-15(19)11-10-12-6-2-1-3-7-12/h1-11H,(H2,17,20)(H,18,19)/b11-10+
InChIKeyIQILKLTVDIIKTK-ZHACJKMWSA-N
XLogP2.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The IUPAC name of 2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (CID 675843) is 2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The InChIKey is IQILKLTVDIIKTK-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-16(20)13-8-4-5-9-14(13)18-15(19)11-10-12-6-2-1-3-7-12/h1-11H,(H2,17,20)(H,18,19)/b11-10+.
What are the key properties of 2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide has a molecular weight of 266.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 675843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).