N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide

C11H10BrClN2O — CID 103824740

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

About N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide

N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide (PubChem CID 103824740) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide
PubChem CID103824740
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H10BrClN2O/c1-11(2,6-14)10(16)15-7-3-4-8(12)9(13)5-7/h3-5H,1-2H3,(H,15,16)
InChIKeyGGLCPLZMIAISIK-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)-2-cyano-2-methylpropanamide
CID 81028368
2-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 60778732
2-[(4-bromo-3-chlorophenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 107615349
4-bromo-3-chloro-N-(2-cyanobutan-2-yl)benzamide
CID 80998085
N-(4-bromo-3-chlorophenyl)-2-cyanopentanamide
CID 107620353
N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide
CID 107143639
2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 60778781
4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 81308168
N-[4-[(4-bromo-3-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 15954823
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide
CID 115898158
N-(4-bromo-3-chlorophenyl)-2-hydrazinyl-2-oxoacetamide
CID 107615247

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide (CID 103824740) is N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide is CC(C)(C#N)C(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide?
The InChIKey is GGLCPLZMIAISIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-11(2,6-14)10(16)15-7-3-4-8(12)9(13)5-7/h3-5H,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide?
N-(4-bromo-3-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-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide is sourced from PubChem (CID 103824740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).