3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide

C12H9BrFNOS — CID 106544257

IUPAC3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(NCc1ccsc1)c1cccc(Br)c1F
InChIInChI=1S/C12H9BrFNOS/c13-10-3-1-2-9(11(10)14)12(16)15-6-8-4-5-17-7-8/h1-5,7H,6H2,(H,15,16)
InChIKeyRNAVKKDJINERCB-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.58
Rot. Bonds3

About 3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide

3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 106544257) has the molecular formula C12H9BrFNOS and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide
PubChem CID106544257
Molecular FormulaC12H9BrFNOS
Molecular Weight314.18 g/mol
Exact Mass312.96
IUPAC Name3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(NCc1ccsc1)c1cccc(Br)c1F
InChIInChI=1S/C12H9BrFNOS/c13-10-3-1-2-9(11(10)14)12(16)15-6-8-4-5-17-7-8/h1-5,7H,6H2,(H,15,16)
InChIKeyRNAVKKDJINERCB-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 107957142
2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 107358701
2-(ethylamino)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248048
2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 105386232
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 106544075
3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide
CID 106544261
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
CID 107956077
4-bromo-2-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
CID 107029559
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
CID 103892000
4-[(3-bromo-2-fluorobenzoyl)amino]butanoic acid
CID 107948926

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide (CID 106544257) is 3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide is O=C(NCc1ccsc1)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is RNAVKKDJINERCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNOS/c13-10-3-1-2-9(11(10)14)12(16)15-6-8-4-5-17-7-8/h1-5,7H,6H2,(H,15,16).
What are the key properties of 3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide?
3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 314.18 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 106544257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).