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

C12H10BrNOS — CID 895949

IUPAC2-bromo-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccccc1Br
InChIInChI=1S/C12H10BrNOS/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-7H,8H2,(H,14,15)
InChIKeyHVXCBKMTLDKHKZ-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.44
Rot. Bonds3

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

2-bromo-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 895949) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-bromo-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(thiophen-2-ylmethyl)benzamide
PubChem CID895949
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name2-bromo-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccccc1Br
InChIInChI=1S/C12H10BrNOS/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-7H,8H2,(H,14,15)
InChIKeyHVXCBKMTLDKHKZ-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
Thiophene-2-carboxylic acid [2-(4-bromo-phenyl)-2-oxo-ethyl]-amide
CID 856376
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-(2-bromobenzyl)-2-(2-thienyl)acetamide
CID 1246426
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
2-bromo-N-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]benzamide
CID 16298017
N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 697434
2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 896320
N-methyl-5-phenyl-2-thiophenecarboxamide
CID 3790018

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N-(thiophen-2-ylmethyl)benzamide (CID 895949) is 2-bromo-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is HVXCBKMTLDKHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-7H,8H2,(H,14,15).
What are the key properties of 2-bromo-N-(thiophen-2-ylmethyl)benzamide?
2-bromo-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 296.19 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 895949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).