N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide

C13H11BrFNOS — CID 47250397

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NCc1cc(Br)cs1
InChIInChI=1S/C13H11BrFNOS/c14-10-6-11(18-8-10)7-16-13(17)5-9-3-1-2-4-12(9)15/h1-4,6,8H,5,7H2,(H,16,17)
InChIKeyLXZYNUYBSZVSGW-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.51
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide

N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide (PubChem CID 47250397) has the molecular formula C13H11BrFNOS and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
PubChem CID47250397
Molecular FormulaC13H11BrFNOS
Molecular Weight328.21 g/mol
Exact Mass326.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NCc1cc(Br)cs1
InChIInChI=1S/C13H11BrFNOS/c14-10-6-11(18-8-10)7-16-13(17)5-9-3-1-2-4-12(9)15/h1-4,6,8H,5,7H2,(H,16,17)
InChIKeyLXZYNUYBSZVSGW-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 47250258
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 47043670
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylbenzamide
CID 112729651
N-[(4-bromothiophen-2-yl)methyl]-2-(4-nitrophenyl)acetamide
CID 47250405
4-[(4-bromothiophen-2-yl)methylamino]-4-oxo-2-phenylbutanoic acid
CID 51121124
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 110718049
2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-3-fluorobenzoic acid
CID 81497765
N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide
CID 55801945
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide
CID 80979266
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
CID 47250162
N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide
CID 47352361

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide (CID 47250397) is N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is LXZYNUYBSZVSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNOS/c14-10-6-11(18-8-10)7-16-13(17)5-9-3-1-2-4-12(9)15/h1-4,6,8H,5,7H2,(H,16,17).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide?
N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 328.21 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 47250397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).