(E)-N-(2-bromophenyl)-3-phenylprop-2-enamide

C15H12BrNO — CID 764334

IUPAC(E)-N-(2-bromophenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C15H12BrNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18)/b11-10+
InChIKeyFZGNQEIHILPJBW-ZHACJKMWSA-N
MW302.17 g/mol
LogP4.10
Rot. Bonds3

About (E)-N-(2-bromophenyl)-3-phenylprop-2-enamide

(E)-N-(2-bromophenyl)-3-phenylprop-2-enamide (PubChem CID 764334) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is (E)-N-(2-bromophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromophenyl)-3-phenylprop-2-enamide
PubChem CID764334
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name(E)-N-(2-bromophenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C15H12BrNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18)/b11-10+
InChIKeyFZGNQEIHILPJBW-ZHACJKMWSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-N-(2-bromophenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-bromophenyl)-3-phenylprop-2-enamide (CID 764334) is (E)-N-(2-bromophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-bromophenyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccccc1Br.
What is the InChIKey of (E)-N-(2-bromophenyl)-3-phenylprop-2-enamide?
The InChIKey is FZGNQEIHILPJBW-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18)/b11-10+.
What are the key properties of (E)-N-(2-bromophenyl)-3-phenylprop-2-enamide?
(E)-N-(2-bromophenyl)-3-phenylprop-2-enamide has a molecular weight of 302.17 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 764334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).