4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide

C13H11BrClNOS — CID 81307467

IUPAC4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide
SMILESCc1cscc1CNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H11BrClNOS/c1-8-6-18-7-10(8)5-16-13(17)9-2-3-11(14)12(15)4-9/h2-4,6-7H,5H2,1H3,(H,16,17)
InChIKeyOQPHOKDHRGFMSG-UHFFFAOYSA-N
MW344.66 g/mol
LogP4.40
Rot. Bonds3

About 4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide

4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide (PubChem CID 81307467) has the molecular formula C13H11BrClNOS and a molecular weight of 344.66 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide
PubChem CID81307467
Molecular FormulaC13H11BrClNOS
Molecular Weight344.66 g/mol
Exact Mass342.94
IUPAC Name4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide
SMILESCc1cscc1CNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H11BrClNOS/c1-8-6-18-7-10(8)5-16-13(17)9-2-3-11(14)12(15)4-9/h2-4,6-7H,5H2,1H3,(H,16,17)
InChIKeyOQPHOKDHRGFMSG-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.66
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
CID 81295807
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028
4-bromo-3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 80972967
4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide
CID 80948919
4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide
CID 81233279
methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate
CID 80954153
3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115610944
4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 81002022
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596
4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 115770341

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide (CID 81307467) is 4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide is Cc1cscc1CNC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide?
The InChIKey is OQPHOKDHRGFMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNOS/c1-8-6-18-7-10(8)5-16-13(17)9-2-3-11(14)12(15)4-9/h2-4,6-7H,5H2,1H3,(H,16,17).
What are the key properties of 4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide?
4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide has a molecular weight of 344.66 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide is sourced from PubChem (CID 81307467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).