N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide

C16H21BrN2O — CID 115175276

IUPACN-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide
SMILESCc1ccc(Br)cc1C(C)(C)CNC(=O)C(C)(C)C#N
InChIInChI=1S/C16H21BrN2O/c1-11-6-7-12(17)8-13(11)16(4,5)10-19-14(20)15(2,3)9-18/h6-8H,10H2,1-5H3,(H,19,20)
InChIKeyGQMXQXWKPVOABE-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.70
Rot. Bonds4

About N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide

N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide (PubChem CID 115175276) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide
PubChem CID115175276
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC NameN-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide
SMILESCc1ccc(Br)cc1C(C)(C)CNC(=O)C(C)(C)C#N
InChIInChI=1S/C16H21BrN2O/c1-11-6-7-12(17)8-13(11)16(4,5)10-19-14(20)15(2,3)9-18/h6-8H,10H2,1-5H3,(H,19,20)
InChIKeyGQMXQXWKPVOABE-UHFFFAOYSA-N
XLogP3.70
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152831
2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide
CID 115175277
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176137
3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide
CID 115161764
1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115182837
3-[[2-(5-bromo-2-methylphenyl)-2-methylpropyl]amino]propanoic acid
CID 115218391
5-bromo-N-(2-cyano-2-methylpropyl)-2-methylbenzamide
CID 113372673
2-(5-bromo-2-methylphenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263701
2-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152822
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide
CID 56791058
2-(5-bromo-2-methylphenyl)-2,2-difluoroacetonitrile
CID 116840654
2-cyano-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropanamide
CID 115175082

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide?
The IUPAC name of N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide (CID 115175276) is N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide?
The canonical SMILES for N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide is Cc1ccc(Br)cc1C(C)(C)CNC(=O)C(C)(C)C#N.
What is the InChIKey of N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide?
The InChIKey is GQMXQXWKPVOABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-11-6-7-12(17)8-13(11)16(4,5)10-19-14(20)15(2,3)9-18/h6-8H,10H2,1-5H3,(H,19,20).
What are the key properties of N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide?
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide has a molecular weight of 337.26 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide is sourced from PubChem (CID 115175276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).