2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide

C12H15Br2NO — CID 114327349

IUPAC2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Br)c1ccccc1Br
InChIInChI=1S/C12H15Br2NO/c1-8(15-11(16)12(2,3)14)9-6-4-5-7-10(9)13/h4-8H,1-3H3,(H,15,16)
InChIKeyIBOXXIQVRWHCAC-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.80
Rot. Bonds3

About 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide

2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide (PubChem CID 114327349) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
PubChem CID114327349
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Br)c1ccccc1Br
InChIInChI=1S/C12H15Br2NO/c1-8(15-11(16)12(2,3)14)9-6-4-5-7-10(9)13/h4-8H,1-3H3,(H,15,16)
InChIKeyIBOXXIQVRWHCAC-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.80
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-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 113344954
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81397684
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
2-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]-3-methylbutanamide
CID 81383036
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
CID 26085546
1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464635
4-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81379321
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 113416387
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide (CID 114327349) is 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide is CC(NC(=O)C(C)(C)Br)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide?
The InChIKey is IBOXXIQVRWHCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-8(15-11(16)12(2,3)14)9-6-4-5-7-10(9)13/h4-8H,1-3H3,(H,15,16).
What are the key properties of 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide?
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide has a molecular weight of 349.07 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 114327349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).