2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C20H19F3N2O2 — CID 55928847

IUPAC2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(C)C(Oc1ccccc1C#N)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2/c1-13(2)18(27-17-6-4-3-5-15(17)11-24)19(26)25-12-14-7-9-16(10-8-14)20(21,22)23/h3-10,13,18H,12H2,1-2H3,(H,25,26)
InChIKeyYZUYTMVYAVTOMX-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.30
Rot. Bonds6

About 2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 55928847) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID55928847
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(C)C(Oc1ccccc1C#N)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2/c1-13(2)18(27-17-6-4-3-5-15(17)11-24)19(26)25-12-14-7-9-16(10-8-14)20(21,22)23/h3-10,13,18H,12H2,1-2H3,(H,25,26)
InChIKeyYZUYTMVYAVTOMX-UHFFFAOYSA-N
XLogP4.30
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenoxy)-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]butanamide
CID 55929736
N-[3-[[[2-(2-cyanophenoxy)-3-methylbutanoyl]amino]methyl]phenyl]-4-methylbenzamide
CID 55945915
4-chloro-N-[2-[[2-(2-cyanophenoxy)-3-methylbutanoyl]amino]ethyl]benzamide
CID 55940470
N-[3-[[[2-(2-cyanophenoxy)-3-methylbutanoyl]amino]methyl]phenyl]-3-fluorobenzamide
CID 55947736
2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide
CID 55959747
2-(2-cyanophenoxy)-3-methyl-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 55939515
2-(2-cyanophenoxy)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-methylbutanamide
CID 55945677
2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55614028
2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 87040479
N-[2-(4-bromoanilino)-2-oxoethyl]-2-(2-cyanophenoxy)-3-methylbutanamide
CID 55960042
3-amino-2-methyl-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880982
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 55928847) is 2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is CC(C)C(Oc1ccccc1C#N)C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is YZUYTMVYAVTOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-13(2)18(27-17-6-4-3-5-15(17)11-24)19(26)25-12-14-7-9-16(10-8-14)20(21,22)23/h3-10,13,18H,12H2,1-2H3,(H,25,26).
What are the key properties of 2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 376.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 55928847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).