2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide

C13H12BrNOS — CID 14292484

IUPAC2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CBr)N(Cc1cccs1)c1ccccc1
InChIInChI=1S/C13H12BrNOS/c14-9-13(16)15(10-12-7-4-8-17-12)11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyZKOPZEIWVZPKMD-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.68
Rot. Bonds4

About 2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide

2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 14292484) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID14292484
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC Name2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CBr)N(Cc1cccs1)c1ccccc1
InChIInChI=1S/C13H12BrNOS/c14-9-13(16)15(10-12-7-4-8-17-12)11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyZKOPZEIWVZPKMD-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975
2-bromo-N-(bromomethyl)-N-phenylacetamide
CID 67892280
2-amino-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39360719
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide
CID 134001322
N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17010905
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39708928
2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39380130
N-(4-methoxyphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40862578
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55892057
2-benzylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 27995034
N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17013288
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51183578

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide (CID 14292484) is 2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide is O=C(CBr)N(Cc1cccs1)c1ccccc1.
What is the InChIKey of 2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZKOPZEIWVZPKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c14-9-13(16)15(10-12-7-4-8-17-12)11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 310.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 14292484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).