N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide

C15H10BrNO2 — CID 176534523

IUPACN-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide
SMILESO=C=C(C(=O)Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H10BrNO2/c16-12-6-8-13(9-7-12)17-15(19)14(10-18)11-4-2-1-3-5-11/h1-9H,(H,17,19)
InChIKeyPYFJFMJNBTZPKF-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.30
Rot. Bonds3

About N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide

N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide (PubChem CID 176534523) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide
PubChem CID176534523
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC NameN-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide
SMILESO=C=C(C(=O)Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H10BrNO2/c16-12-6-8-13(9-7-12)17-15(19)14(10-18)11-4-2-1-3-5-11/h1-9H,(H,17,19)
InChIKeyPYFJFMJNBTZPKF-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-oxo-2-phenylacetamide
CID 15620422
N-(4-bromophenyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide
CID 790030
2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide
CID 717412
2-amino-2-(4-bromoanilino)-4-oxo-3-phenylbut-3-enamide
CID 122657690
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
(Z)-2-(4-bromoanilino)-4-oxo-4-phenylbut-2-enoic acid
CID 17387425
N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide
CID 134873908
(E)-N-(4-bromophenyl)-2-cyano-3-phenacylsulfanyl-3-sulfanylprop-2-enamide
CID 11510800
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
CID 3506666
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
2-bromo-N-(4-bromophenyl)but-2-enamide
CID 54554257

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide?
The IUPAC name of N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide (CID 176534523) is N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide.
What is the SMILES notation for N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide?
The canonical SMILES for N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide is O=C=C(C(=O)Nc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide?
The InChIKey is PYFJFMJNBTZPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-12-6-8-13(9-7-12)17-15(19)14(10-18)11-4-2-1-3-5-11/h1-9H,(H,17,19).
What are the key properties of N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide?
N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide has a molecular weight of 316.15 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide is sourced from PubChem (CID 176534523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).