N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide

C11H10BrClN2O — CID 81028368

IUPACN-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C11H10BrClN2O/c1-11(2,6-14)10(16)15-9-4-3-7(13)5-8(9)12/h3-5H,1-2H3,(H,15,16)
InChIKeyBFNYIYZGCZQRQS-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.59
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide

N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide (PubChem CID 81028368) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide
PubChem CID81028368
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC NameN-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C11H10BrClN2O/c1-11(2,6-14)10(16)15-9-4-3-7(13)5-8(9)12/h3-5H,1-2H3,(H,15,16)
InChIKeyBFNYIYZGCZQRQS-UHFFFAOYSA-N
XLogP3.59
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 81264003
N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide
CID 115898158
N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide
CID 103824740
(2-bromo-4-chlorophenyl)urea
CID 81003362
N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide
CID 81271570
(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide
CID 81027410
3-[(2-bromo-4-chlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 81280354
2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide
CID 55208118
2-cyano-2-methyl-N-(2-methylphenyl)propanamide
CID 60778630
5-amino-N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 102705790
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyano-2-methylpropanamide
CID 60531587
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide (CID 81028368) is N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide is CC(C)(C#N)C(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide?
The InChIKey is BFNYIYZGCZQRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-11(2,6-14)10(16)15-9-4-3-7(13)5-8(9)12/h3-5H,1-2H3,(H,15,16).
What are the key properties of N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide?
N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide has a molecular weight of 301.57 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide is sourced from PubChem (CID 81028368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).