2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide

C14H17BrN2O — CID 60654639

IUPAC2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC#N)C(=O)c1ccccc1Br
InChIInChI=1S/C14H17BrN2O/c1-11(2)10-17(9-5-8-16)14(18)12-6-3-4-7-13(12)15/h3-4,6-7,11H,5,9-10H2,1-2H3
InChIKeyJXCYBRNZHPBYLT-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.46
Rot. Bonds5

About 2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide

2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide (PubChem CID 60654639) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
PubChem CID60654639
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC#N)C(=O)c1ccccc1Br
InChIInChI=1S/C14H17BrN2O/c1-11(2)10-17(9-5-8-16)14(18)12-6-3-4-7-13(12)15/h3-4,6-7,11H,5,9-10H2,1-2H3
InChIKeyJXCYBRNZHPBYLT-UHFFFAOYSA-N
XLogP3.46
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 62734954
4-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 60699445
2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide
CID 62662075
N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62236256
3-bromo-2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 113362626
2-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107026865
5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide
CID 60654559
N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 60654474
N-(2-cyanoethyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 60654556
4-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
CID 60659981
N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide
CID 60715659
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide (CID 60654639) is 2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide is CC(C)CN(CCC#N)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide?
The InChIKey is JXCYBRNZHPBYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-11(2)10-17(9-5-8-16)14(18)12-6-3-4-7-13(12)15/h3-4,6-7,11H,5,9-10H2,1-2H3.
What are the key properties of 2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide?
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide has a molecular weight of 309.21 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 60654639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).