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

C21H21F3N2O2 — CID 55939527

IUPAC2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(C)C(Oc1ccccc1C#N)C(=O)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C21H21F3N2O2/c1-14(2)19(28-18-11-7-5-8-15(18)12-25)20(27)26(3)13-16-9-4-6-10-17(16)21(22,23)24/h4-11,14,19H,13H2,1-3H3
InChIKeyFERQYRPHBGWBHT-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.64
Rot. Bonds6

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

2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 55939527) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID55939527
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(C)C(Oc1ccccc1C#N)C(=O)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C21H21F3N2O2/c1-14(2)19(28-18-11-7-5-8-15(18)12-25)20(27)26(3)13-16-9-4-6-10-17(16)21(22,23)24/h4-11,14,19H,13H2,1-3H3
InChIKeyFERQYRPHBGWBHT-UHFFFAOYSA-N
XLogP4.64
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55928847
2-[3-methyl-1-oxo-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]butan-2-yl]oxybenzonitrile
CID 55939657
2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 46546464
N-methyl-2-(2-methylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047158
methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate
CID 43423964
(2S)-2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propanoic acid
CID 87696939
2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide
CID 55959747
(2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 38303758
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 111543293
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
4-chloro-N-[2-[[2-(2-cyanophenoxy)-3-methylbutanoyl]amino]ethyl]benzamide
CID 55940470
2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile
CID 43752912

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide (CID 55939527) is 2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide is CC(C)C(Oc1ccccc1C#N)C(=O)N(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is FERQYRPHBGWBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-14(2)19(28-18-11-7-5-8-15(18)12-25)20(27)26(3)13-16-9-4-6-10-17(16)21(22,23)24/h4-11,14,19H,13H2,1-3H3.
What are the key properties of 2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 390.41 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 55939527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).