N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide

C12H12BrClN2O — CID 55132641

IUPACN-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide
SMILESCC(C)C(C#N)C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H12BrClN2O/c1-7(2)9(6-15)12(17)16-11-5-8(13)3-4-10(11)14/h3-5,7,9H,1-2H3,(H,16,17)
InChIKeyFSEARCWYBQOVPK-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.84
Rot. Bonds3

About N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide

N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide (PubChem CID 55132641) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide
PubChem CID55132641
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC NameN-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide
SMILESCC(C)C(C#N)C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H12BrClN2O/c1-7(2)9(6-15)12(17)16-11-5-8(13)3-4-10(11)14/h3-5,7,9H,1-2H3,(H,16,17)
InChIKeyFSEARCWYBQOVPK-UHFFFAOYSA-N
XLogP3.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide
CID 62907733
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-cyano-3-methylbutanamide
CID 103193410
(2S)-2-[(5-bromo-2-chlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 62908789
3-[(5-bromo-2-chlorophenyl)carbamoylamino]butanoic acid
CID 62907932
1-(5-bromo-2-chlorophenyl)-3-ethylurea
CID 60981700
N-(5-bromo-2-chlorophenyl)-4-hydroxypentanamide
CID 79192467
N-(3-bromoquinolin-8-yl)-2-cyano-3-methylbutanamide
CID 116784504
(2R)-2-[(5-bromo-2-chlorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927987
2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide
CID 115188542
N-(5-bromo-2-chlorophenyl)-2-carbamothioylbutanamide
CID 55132834
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
2-(3-bromo-4-chlorobenzoyl)-3-methylbutanenitrile
CID 107988493

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide (CID 55132641) is N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide is CC(C)C(C#N)C(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide?
The InChIKey is FSEARCWYBQOVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-7(2)9(6-15)12(17)16-11-5-8(13)3-4-10(11)14/h3-5,7,9H,1-2H3,(H,16,17).
What are the key properties of N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide?
N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide has a molecular weight of 315.60 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide is sourced from PubChem (CID 55132641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).