3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide

C12H15BrClNOS — CID 103826959

IUPAC3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H15BrClNOS/c1-8(7-17-2)6-15-12(16)9-3-10(13)5-11(14)4-9/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyCOBPOZPEXGLVFD-UHFFFAOYSA-N
MW336.68 g/mol
LogP3.83
Rot. Bonds5

About 3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide

3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide (PubChem CID 103826959) has the molecular formula C12H15BrClNOS and a molecular weight of 336.68 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
PubChem CID103826959
Molecular FormulaC12H15BrClNOS
Molecular Weight336.68 g/mol
Exact Mass334.97
IUPAC Name3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H15BrClNOS/c1-8(7-17-2)6-15-12(16)9-3-10(13)5-11(14)4-9/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyCOBPOZPEXGLVFD-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)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-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 107938301
3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide
CID 110620419
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]butanoic acid
CID 107938080
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221
3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
CID 107951717
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103827012
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 107941141
6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid
CID 107938037

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide (CID 103826959) is 3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide is CSCC(C)CNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The InChIKey is COBPOZPEXGLVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNOS/c1-8(7-17-2)6-15-12(16)9-3-10(13)5-11(14)4-9/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide has a molecular weight of 336.68 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 103826959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).