2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide

C11H13Br2NO — CID 116816881

IUPAC2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C11H13Br2NO/c1-11(2,13)10(15)14-7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyKSJDYWWSPPQXDZ-UHFFFAOYSA-N
MW335.04 g/mol
LogP3.24
Rot. Bonds3

About 2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide

2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide (PubChem CID 116816881) has the molecular formula C11H13Br2NO and a molecular weight of 335.04 g/mol. Its IUPAC name is 2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide
PubChem CID116816881
Molecular FormulaC11H13Br2NO
Molecular Weight335.04 g/mol
Exact Mass332.94
IUPAC Name2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C11H13Br2NO/c1-11(2,13)10(15)14-7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyKSJDYWWSPPQXDZ-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 104936890
2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide
CID 79810288
N-benzyl-2-(4-bromophenyl)-2-methylpropanamide
CID 134025593
2-bromo-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384571
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
CID 103928385
2-[(4-bromophenyl)methylamino]-2-oxoacetic acid;ethane
CID 145068790
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
5-[(4-bromophenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934888
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
1-[(4-bromophenyl)methyl]-3-(4-tert-butylphenyl)urea
CID 108884917
N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine
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1-[(4-bromophenyl)methyl]-3-(2-oxopropyl)urea
CID 117235576

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide (CID 116816881) is 2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide is CC(C)(Br)C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of 2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide?
The InChIKey is KSJDYWWSPPQXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO/c1-11(2,13)10(15)14-7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide?
2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide has a molecular weight of 335.04 g/mol, XLogP of 3.24, 3 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)methyl]-2-methylpropanamide is sourced from PubChem (CID 116816881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).