(E)-2-benzamido-3-phenylprop-2-enoic acid

C16H13NO3 — CID 818085

IUPAC(E)-2-benzamido-3-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C16H13NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-11H,(H,17,18)(H,19,20)/b14-11+
InChIKeyHHWCUKQKFIVCEZ-SDNWHVSQSA-N
MW267.28 g/mol
LogP2.54
Rot. Bonds4

About (E)-2-benzamido-3-phenylprop-2-enoic acid

(E)-2-benzamido-3-phenylprop-2-enoic acid (PubChem CID 818085) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (E)-2-benzamido-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-benzamido-3-phenylprop-2-enoic acid
PubChem CID818085
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(E)-2-benzamido-3-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C16H13NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-11H,(H,17,18)(H,19,20)/b14-11+
InChIKeyHHWCUKQKFIVCEZ-SDNWHVSQSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.54
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 (E)-2-benzamido-3-phenylprop-2-enoic acid?
The IUPAC name of (E)-2-benzamido-3-phenylprop-2-enoic acid (CID 818085) is (E)-2-benzamido-3-phenylprop-2-enoic acid.
What is the SMILES notation for (E)-2-benzamido-3-phenylprop-2-enoic acid?
The canonical SMILES for (E)-2-benzamido-3-phenylprop-2-enoic acid is O=C(O)/C(=C\c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of (E)-2-benzamido-3-phenylprop-2-enoic acid?
The InChIKey is HHWCUKQKFIVCEZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H13NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-11H,(H,17,18)(H,19,20)/b14-11+.
What are the key properties of (E)-2-benzamido-3-phenylprop-2-enoic acid?
(E)-2-benzamido-3-phenylprop-2-enoic acid has a molecular weight of 267.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzamido-3-phenylprop-2-enoic acid is sourced from PubChem (CID 818085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).