2-bromo-2-(4-bromophenyl)-N-methylacetamide

C9H9Br2NO — CID 10470448

IUPAC2-bromo-2-(4-bromophenyl)-N-methylacetamide
SMILESCNC(=O)C(Br)c1ccc(Br)cc1
InChIInChI=1S/C9H9Br2NO/c1-12-9(13)8(11)6-2-4-7(10)5-3-6/h2-5,8H,1H3,(H,12,13)
InChIKeyQBYQRWIUHZTUFC-UHFFFAOYSA-N
MW306.99 g/mol
LogP2.63
Rot. Bonds2

About 2-bromo-2-(4-bromophenyl)-N-methylacetamide

2-bromo-2-(4-bromophenyl)-N-methylacetamide (PubChem CID 10470448) has the molecular formula C9H9Br2NO and a molecular weight of 306.99 g/mol. Its IUPAC name is 2-bromo-2-(4-bromophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-bromo-2-(4-bromophenyl)-N-methylacetamide
PubChem CID10470448
Molecular FormulaC9H9Br2NO
Molecular Weight306.99 g/mol
Exact Mass304.91
IUPAC Name2-bromo-2-(4-bromophenyl)-N-methylacetamide
SMILESCNC(=O)C(Br)c1ccc(Br)cc1
InChIInChI=1S/C9H9Br2NO/c1-12-9(13)8(11)6-2-4-7(10)5-3-6/h2-5,8H,1H3,(H,12,13)
InChIKeyQBYQRWIUHZTUFC-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-2-(4-bromophenyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
CID 103740453
1-bromo-1-(4-bromophenyl)-3,3-dimethylbutan-2-one
CID 139230299
2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
CID 60673174
(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-methylpropanamide
CID 8643427
1-[(1R)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 58762667
1-[(1S)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 106831663
N-(4-bromophenyl)-2-cyanobutanamide
CID 55207882
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81359398
3-(4-bromophenyl)pentane-2,4-dione
CID 14816158
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-bromophenyl)-N-methylacetamide?
The IUPAC name of 2-bromo-2-(4-bromophenyl)-N-methylacetamide (CID 10470448) is 2-bromo-2-(4-bromophenyl)-N-methylacetamide.
What is the SMILES notation for 2-bromo-2-(4-bromophenyl)-N-methylacetamide?
The canonical SMILES for 2-bromo-2-(4-bromophenyl)-N-methylacetamide is CNC(=O)C(Br)c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-2-(4-bromophenyl)-N-methylacetamide?
The InChIKey is QBYQRWIUHZTUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO/c1-12-9(13)8(11)6-2-4-7(10)5-3-6/h2-5,8H,1H3,(H,12,13).
What are the key properties of 2-bromo-2-(4-bromophenyl)-N-methylacetamide?
2-bromo-2-(4-bromophenyl)-N-methylacetamide has a molecular weight of 306.99 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(4-bromophenyl)-N-methylacetamide is sourced from PubChem (CID 10470448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).