2-bromo-N-(4-bromophenyl)but-2-enamide

C10H9Br2NO — CID 54554257

IUPAC2-bromo-N-(4-bromophenyl)but-2-enamide
SMILESCC=C(Br)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H9Br2NO/c1-2-9(12)10(14)13-8-5-3-7(11)4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyZMAZFZXKJXRJBK-UHFFFAOYSA-N
MW319.00 g/mol
LogP3.69
Rot. Bonds2

About 2-bromo-N-(4-bromophenyl)but-2-enamide

2-bromo-N-(4-bromophenyl)but-2-enamide (PubChem CID 54554257) has the molecular formula C10H9Br2NO and a molecular weight of 319.00 g/mol. Its IUPAC name is 2-bromo-N-(4-bromophenyl)but-2-enamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromophenyl)but-2-enamide
PubChem CID54554257
Molecular FormulaC10H9Br2NO
Molecular Weight319.00 g/mol
Exact Mass316.91
IUPAC Name2-bromo-N-(4-bromophenyl)but-2-enamide
SMILESCC=C(Br)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H9Br2NO/c1-2-9(12)10(14)13-8-5-3-7(11)4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyZMAZFZXKJXRJBK-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.00
LogP ≤ 53.69
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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Related Compounds

(4-bromophenyl)urea
CID 16074
N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide
CID 47226214
(2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide
CID 53275070
(E)-3-(4-bromoanilino)-N-(4-bromophenyl)but-2-enamide
CID 134835204
N-(4-bromophenyl)-2-oxo-2-phenylacetamide
CID 15620422
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide
CID 717412
(Z)-3-(4-acetamidoanilino)-N-(4-bromophenyl)-2-cyanoprop-2-enamide
CID 108815697
2-[(4-bromophenyl)carbamoyl]-3-iminoprop-2-enedithioic acid
CID 176531756
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
CID 124626154
N-(4-bromophenyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide
CID 790030
(Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide
CID 20850493

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromophenyl)but-2-enamide?
The IUPAC name of 2-bromo-N-(4-bromophenyl)but-2-enamide (CID 54554257) is 2-bromo-N-(4-bromophenyl)but-2-enamide.
What is the SMILES notation for 2-bromo-N-(4-bromophenyl)but-2-enamide?
The canonical SMILES for 2-bromo-N-(4-bromophenyl)but-2-enamide is CC=C(Br)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-bromo-N-(4-bromophenyl)but-2-enamide?
The InChIKey is ZMAZFZXKJXRJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO/c1-2-9(12)10(14)13-8-5-3-7(11)4-6-8/h2-6H,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(4-bromophenyl)but-2-enamide?
2-bromo-N-(4-bromophenyl)but-2-enamide has a molecular weight of 319.00 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromophenyl)but-2-enamide is sourced from PubChem (CID 54554257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).