N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide

C12H8BrClFNOS — CID 78986114

IUPACN-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide
SMILESO=C(NCc1sccc1Br)c1ccc(Cl)cc1F
InChIInChI=1S/C12H8BrClFNOS/c13-9-3-4-18-11(9)6-16-12(17)8-2-1-7(14)5-10(8)15/h1-5H,6H2,(H,16,17)
InChIKeyJSZSIFBGWGBDBD-UHFFFAOYSA-N
MW348.62 g/mol
LogP4.23
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide

N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide (PubChem CID 78986114) has the molecular formula C12H8BrClFNOS and a molecular weight of 348.62 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide
PubChem CID78986114
Molecular FormulaC12H8BrClFNOS
Molecular Weight348.62 g/mol
Exact Mass346.92
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide
SMILESO=C(NCc1sccc1Br)c1ccc(Cl)cc1F
InChIInChI=1S/C12H8BrClFNOS/c13-9-3-4-18-11(9)6-16-12(17)8-2-1-7(14)5-10(8)15/h1-5H,6H2,(H,16,17)
InChIKeyJSZSIFBGWGBDBD-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.62
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide 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

4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide
CID 78986020
N-[(3-bromothiophen-2-yl)methyl]-2,4-difluoro-5-methylbenzamide
CID 112696487
5-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-iodobenzamide
CID 114033134
N-[(3-bromothiophen-2-yl)methyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 78985811
N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide
CID 78986029
2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113257504
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953
N-[(3-bromothiophen-2-yl)methyl]-6-chloropyridine-3-carboxamide
CID 78986104
N-[(3-bromothiophen-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 78962520
N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide
CID 78986095
5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 52589331
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide (CID 78986114) is N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide is O=C(NCc1sccc1Br)c1ccc(Cl)cc1F.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide?
The InChIKey is JSZSIFBGWGBDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNOS/c13-9-3-4-18-11(9)6-16-12(17)8-2-1-7(14)5-10(8)15/h1-5H,6H2,(H,16,17).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide?
N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide has a molecular weight of 348.62 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 78986114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).