N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide

C11H11BrN2O — CID 115173041

IUPACN-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide
SMILESCc1ccc(Br)cc1N(C)C(=O)CC#N
InChIInChI=1S/C11H11BrN2O/c1-8-3-4-9(12)7-10(8)14(2)11(15)5-6-13/h3-4,7H,5H2,1-2H3
InChIKeyRKXZYEJWIXJMML-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.63
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide

N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide (PubChem CID 115173041) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide
PubChem CID115173041
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC NameN-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide
SMILESCc1ccc(Br)cc1N(C)C(=O)CC#N
InChIInChI=1S/C11H11BrN2O/c1-8-3-4-9(12)7-10(8)14(2)11(15)5-6-13/h3-4,7H,5H2,1-2H3
InChIKeyRKXZYEJWIXJMML-UHFFFAOYSA-N
XLogP2.63
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138927
N-(2-bromophenyl)-2-cyano-N-methylacetamide
CID 83548486
5-(5-bromo-N,2-dimethylanilino)-5-oxopentanoic acid
CID 115163850
1-(5-bromo-2-methylphenyl)-1-methylurea
CID 115168285
N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173025
N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide
CID 115175535
1-(5-bromo-2-methylphenyl)-1,3-dimethylurea
CID 115169063
N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160585
N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 115160149
N-(5-tert-butyl-2-methylphenyl)-3-cyano-N-methylpropanamide
CID 115173625
N-(5-bromo-2-methylphenyl)-N-methyl-2-morpholin-2-ylacetamide
CID 115178201
4-(5-bromo-2-methoxy-N-methylanilino)-3-oxobutanenitrile
CID 117038319

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide (CID 115173041) is N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide is Cc1ccc(Br)cc1N(C)C(=O)CC#N.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide?
The InChIKey is RKXZYEJWIXJMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-8-3-4-9(12)7-10(8)14(2)11(15)5-6-13/h3-4,7H,5H2,1-2H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide?
N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide has a molecular weight of 267.13 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide is sourced from PubChem (CID 115173041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).