N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide

C14H11FN2OS — CID 63359741

IUPACN-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
SMILESN#Cc1ccc(CNC(=O)Cc2ccsc2)c(F)c1
InChIInChI=1S/C14H11FN2OS/c15-13-5-10(7-16)1-2-12(13)8-17-14(18)6-11-3-4-19-9-11/h1-5,9H,6,8H2,(H,17,18)
InChIKeyHVCJHRSKJHVWCS-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.62
Rot. Bonds4

About N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide

N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide (PubChem CID 63359741) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
PubChem CID63359741
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC NameN-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
SMILESN#Cc1ccc(CNC(=O)Cc2ccsc2)c(F)c1
InChIInChI=1S/C14H11FN2OS/c15-13-5-10(7-16)1-2-12(13)8-17-14(18)6-11-3-4-19-9-11/h1-5,9H,6,8H2,(H,17,18)
InChIKeyHVCJHRSKJHVWCS-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-cyano-2-fluorophenyl)methyl]-3-(thiophen-3-ylmethyl)urea
CID 56827508
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide
CID 55191081
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 55190908
N-[(4-cyano-2-fluorophenyl)methyl]nonanamide
CID 63547890
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359520
N-[(4-cyano-2-fluorophenyl)methyl]-3,5,5-trimethylhexanamide
CID 63359559
N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538113
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide
CID 63359561
N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide
CID 86893384

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide (CID 63359741) is N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide is N#Cc1ccc(CNC(=O)Cc2ccsc2)c(F)c1.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide?
The InChIKey is HVCJHRSKJHVWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-13-5-10(7-16)1-2-12(13)8-17-14(18)6-11-3-4-19-9-11/h1-5,9H,6,8H2,(H,17,18).
What are the key properties of N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide?
N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide has a molecular weight of 274.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 63359741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).