2-bromo-N,N-diphenylprop-2-enamide

C15H12BrNO — CID 15519224

IUPAC2-bromo-N,N-diphenylprop-2-enamide
SMILESC=C(Br)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12BrNO/c1-12(16)15(18)17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
InChIKeyBGXYNHAYFCWYEL-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.26
Rot. Bonds3

About 2-bromo-N,N-diphenylprop-2-enamide

2-bromo-N,N-diphenylprop-2-enamide (PubChem CID 15519224) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-bromo-N,N-diphenylprop-2-enamide.

Molecular Properties

Compound Name2-bromo-N,N-diphenylprop-2-enamide
PubChem CID15519224
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name2-bromo-N,N-diphenylprop-2-enamide
SMILESC=C(Br)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12BrNO/c1-12(16)15(18)17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
InChIKeyBGXYNHAYFCWYEL-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N,N',N'-triphenyloxamide
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1,1-diphenylurea
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CID 159685847
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
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3-[N-(2-bromoprop-2-enyl)anilino]propanoic acid
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N-phenyl-N-(4-prop-1-en-2-ylphenyl)acetamide
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N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide
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benzene;1,1-diphenyl-3-propan-2-ylurea
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-diphenylprop-2-enamide?
The IUPAC name of 2-bromo-N,N-diphenylprop-2-enamide (CID 15519224) is 2-bromo-N,N-diphenylprop-2-enamide.
What is the SMILES notation for 2-bromo-N,N-diphenylprop-2-enamide?
The canonical SMILES for 2-bromo-N,N-diphenylprop-2-enamide is C=C(Br)C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-bromo-N,N-diphenylprop-2-enamide?
The InChIKey is BGXYNHAYFCWYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c1-12(16)15(18)17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2.
What are the key properties of 2-bromo-N,N-diphenylprop-2-enamide?
2-bromo-N,N-diphenylprop-2-enamide has a molecular weight of 302.17 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-diphenylprop-2-enamide is sourced from PubChem (CID 15519224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).