N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide

C13H12FNOS — CID 803077

IUPACN-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1ccc(F)cc1
InChIInChI=1S/C13H12FNOS/c14-11-5-3-10(4-6-11)9-15-13(16)8-12-2-1-7-17-12/h1-7H,8-9H2,(H,15,16)
InChIKeyMDMWKXBMIDPICX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.75
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide

N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 803077) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID803077
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC NameN-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1ccc(F)cc1
InChIInChI=1S/C13H12FNOS/c14-11-5-3-10(4-6-11)9-15-13(16)8-12-2-1-7-17-12/h1-7H,8-9H2,(H,15,16)
InChIKeyMDMWKXBMIDPICX-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide (CID 803077) is N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is MDMWKXBMIDPICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c14-11-5-3-10(4-6-11)9-15-13(16)8-12-2-1-7-17-12/h1-7H,8-9H2,(H,15,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 249.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 803077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).