N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide

C11H12BrCl2NO — CID 81264003

IUPACN-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C11H12BrCl2NO/c1-11(2,6-13)10(16)15-9-4-3-7(14)5-8(9)12/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyVJNJEBSNLBWOAX-UHFFFAOYSA-N
MW325.03 g/mol
LogP4.31
Rot. Bonds3

About N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide

N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide (PubChem CID 81264003) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide
PubChem CID81264003
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC NameN-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C11H12BrCl2NO/c1-11(2,6-13)10(16)15-9-4-3-7(14)5-8(9)12/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyVJNJEBSNLBWOAX-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 54.31
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-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide
CID 81028368
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119
N-(2-bromo-4-chlorophenyl)-3-chloropropanamide
CID 81264246
N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 104776270
(2-bromo-4-chlorophenyl)urea
CID 81003362
3-[(2-bromo-4-chlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 81280354
N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
CID 81263840
N-(4-bromo-3-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 65436510
(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide
CID 81027410
methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide
CID 115426126
4-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-methylbenzoic acid
CID 55245426

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide (CID 81264003) is N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide?
The InChIKey is VJNJEBSNLBWOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c1-11(2,6-13)10(16)15-9-4-3-7(14)5-8(9)12/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide?
N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide has a molecular weight of 325.03 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 81264003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).