N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide

C13H10BrClFNOS — CID 54983588

IUPACN-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10BrClFNOS/c1-17(6-8-4-12(14)19-7-8)13(18)10-3-2-9(15)5-11(10)16/h2-5,7H,6H2,1H3
InChIKeyWPUGSVATVJQLMP-UHFFFAOYSA-N
MW362.65 g/mol
LogP4.58
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide

N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide (PubChem CID 54983588) has the molecular formula C13H10BrClFNOS and a molecular weight of 362.65 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide
PubChem CID54983588
Molecular FormulaC13H10BrClFNOS
Molecular Weight362.65 g/mol
Exact Mass360.93
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10BrClFNOS/c1-17(6-8-4-12(14)19-7-8)13(18)10-3-2-9(15)5-11(10)16/h2-5,7H,6H2,1H3
InChIKeyWPUGSVATVJQLMP-UHFFFAOYSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide (CID 54983588) is N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide is CN(Cc1csc(Br)c1)C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide?
The InChIKey is WPUGSVATVJQLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNOS/c1-17(6-8-4-12(14)19-7-8)13(18)10-3-2-9(15)5-11(10)16/h2-5,7H,6H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide?
N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide has a molecular weight of 362.65 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 54983588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).