N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide

C13H18BrClN2O — CID 81487258

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H18BrClN2O/c1-8(2)13(3,7-16)17-12(18)10-5-4-9(14)6-11(10)15/h4-6,8H,7,16H2,1-3H3,(H,17,18)
InChIKeyGJYPDHCSXMPROY-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.21
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide (PubChem CID 81487258) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide
PubChem CID81487258
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H18BrClN2O/c1-8(2)13(3,7-16)17-12(18)10-5-4-9(14)6-11(10)15/h4-6,8H,7,16H2,1-3H3,(H,17,18)
InChIKeyGJYPDHCSXMPROY-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide 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

N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369689
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106502689
N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82882950
2-[(4-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 79793235
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
CID 106688596
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119609082
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453
N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide
CID 81485961
N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride
CID 119607831
N-(1-amino-2,3-dimethylbutan-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119606119
4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 43805745
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119607007

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide (CID 81487258) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide is CC(C)C(C)(CN)NC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide?
The InChIKey is GJYPDHCSXMPROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-8(2)13(3,7-16)17-12(18)10-5-4-9(14)6-11(10)15/h4-6,8H,7,16H2,1-3H3,(H,17,18).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide has a molecular weight of 333.66 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide is sourced from PubChem (CID 81487258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).