2-bromo-N-(3-bromophenyl)-3-methylbutanamide

C11H13Br2NO — CID 24698066

IUPAC2-bromo-N-(3-bromophenyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H13Br2NO/c1-7(2)10(13)11(15)14-9-5-3-4-8(12)6-9/h3-7,10H,1-2H3,(H,14,15)
InChIKeyBPAOKPCJXKJMRF-UHFFFAOYSA-N
MW335.04 g/mol
LogP3.81
Rot. Bonds3

About 2-bromo-N-(3-bromophenyl)-3-methylbutanamide

2-bromo-N-(3-bromophenyl)-3-methylbutanamide (PubChem CID 24698066) has the molecular formula C11H13Br2NO and a molecular weight of 335.04 g/mol. Its IUPAC name is 2-bromo-N-(3-bromophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromophenyl)-3-methylbutanamide
PubChem CID24698066
Molecular FormulaC11H13Br2NO
Molecular Weight335.04 g/mol
Exact Mass332.94
IUPAC Name2-bromo-N-(3-bromophenyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H13Br2NO/c1-7(2)10(13)11(15)14-9-5-3-4-8(12)6-9/h3-7,10H,1-2H3,(H,14,15)
InChIKeyBPAOKPCJXKJMRF-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
2-bromo-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 61251306
2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide
CID 65226098
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880174
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-bromo-3-methylbutanamide
CID 43699889
N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 110880847
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromophenyl)-3-methylbutanamide?
The IUPAC name of 2-bromo-N-(3-bromophenyl)-3-methylbutanamide (CID 24698066) is 2-bromo-N-(3-bromophenyl)-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-(3-bromophenyl)-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-(3-bromophenyl)-3-methylbutanamide is CC(C)C(Br)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-bromo-N-(3-bromophenyl)-3-methylbutanamide?
The InChIKey is BPAOKPCJXKJMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO/c1-7(2)10(13)11(15)14-9-5-3-4-8(12)6-9/h3-7,10H,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(3-bromophenyl)-3-methylbutanamide?
2-bromo-N-(3-bromophenyl)-3-methylbutanamide has a molecular weight of 335.04 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-bromophenyl)-3-methylbutanamide is sourced from PubChem (CID 24698066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).