2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide

C17H15FN2O2 — CID 20991735

IUPAC2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C17H15FN2O2/c18-16-4-2-1-3-14(16)12-22-15-7-5-13(6-8-15)11-20-17(21)9-10-19/h1-8H,9,11-12H2,(H,20,21)
InChIKeyDGSNTFMJYGMJPT-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.93
Rot. Bonds6

About 2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide

2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide (PubChem CID 20991735) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
PubChem CID20991735
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C17H15FN2O2/c18-16-4-2-1-3-14(16)12-22-15-7-5-13(6-8-15)11-20-17(21)9-10-19/h1-8H,9,11-12H2,(H,20,21)
InChIKeyDGSNTFMJYGMJPT-UHFFFAOYSA-N
XLogP2.93
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 108923344
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
CID 22682756
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
2-cyano-N-[(4-fluorophenyl)methyl]acetamide
CID 4183587
2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide
CID 20985387
2-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 48502002
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
sodium;N-benzyl-2-cyanoacetamide;hydride
CID 173433462
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10064347
4-[(2-fluorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111432867

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide (CID 20991735) is 2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide is N#CCC(=O)NCc1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of 2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide?
The InChIKey is DGSNTFMJYGMJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-16-4-2-1-3-14(16)12-22-15-7-5-13(6-8-15)11-20-17(21)9-10-19/h1-8H,9,11-12H2,(H,20,21).
What are the key properties of 2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide?
2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide has a molecular weight of 298.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 20991735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).