2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide

C18H16F3N3O3 — CID 55614028

IUPAC2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C18H16F3N3O3/c1-12(27-15-7-3-2-5-13(15)9-22)16(25)24-10-14-6-4-8-23-17(14)26-11-18(19,20)21/h2-8,12H,10-11H2,1H3,(H,24,25)
InChIKeyPDSOITZAHPEKHN-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.98
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide

2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 55614028) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
PubChem CID55614028
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C18H16F3N3O3/c1-12(27-15-7-3-2-5-13(15)9-22)16(25)24-10-14-6-4-8-23-17(14)26-11-18(19,20)21/h2-8,12H,10-11H2,1H3,(H,24,25)
InChIKeyPDSOITZAHPEKHN-UHFFFAOYSA-N
XLogP2.98
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-pyrazol-1-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 94022211
2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55613812
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 142480215
2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55928847
2-propan-2-ylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55613755
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115649625
2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide
CID 55783770
2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate
CID 166187966
2-ethoxy-N-[2-oxo-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]benzamide
CID 46424285

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide (CID 55614028) is 2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide is CC(Oc1ccccc1C#N)C(=O)NCc1cccnc1OCC(F)(F)F.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is PDSOITZAHPEKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-12(27-15-7-3-2-5-13(15)9-22)16(25)24-10-14-6-4-8-23-17(14)26-11-18(19,20)21/h2-8,12H,10-11H2,1H3,(H,24,25).
What are the key properties of 2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 379.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55614028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).