3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide

C19H19FN2O2 — CID 31949594

IUPAC3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C19H19FN2O2/c1-22(12-13-24-18-9-7-17(20)8-10-18)19(23)11-6-15-2-4-16(14-21)5-3-15/h2-5,7-10H,6,11-13H2,1H3
InChIKeyJHFPJMCAMCZDHH-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.17
Rot. Bonds7

About 3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide

3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide (PubChem CID 31949594) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
PubChem CID31949594
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C19H19FN2O2/c1-22(12-13-24-18-9-7-17(20)8-10-18)19(23)11-6-15-2-4-16(14-21)5-3-15/h2-5,7-10H,6,11-13H2,1H3
InChIKeyJHFPJMCAMCZDHH-UHFFFAOYSA-N
XLogP3.17
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100
3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 78848365
3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 31949840
N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31949619
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide
CID 90748205
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 60518308
4-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544726
4-[3-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-oxopropyl]benzoic acid
CID 119179858

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide (CID 31949594) is 3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide is CN(CCOc1ccc(F)cc1)C(=O)CCc1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The InChIKey is JHFPJMCAMCZDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-22(12-13-24-18-9-7-17(20)8-10-18)19(23)11-6-15-2-4-16(14-21)5-3-15/h2-5,7-10H,6,11-13H2,1H3.
What are the key properties of 3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide has a molecular weight of 326.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide is sourced from PubChem (CID 31949594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).