2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide

C20H20F2N2O2 — CID 55929836

IUPAC2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
SMILESCC(NC(=O)C(Oc1ccccc1C#N)C(C)C)c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N2O2/c1-12(2)19(26-18-7-5-4-6-14(18)11-23)20(25)24-13(3)16-9-8-15(21)10-17(16)22/h4-10,12-13,19H,1-3H3,(H,24,25)
InChIKeyGMOOAHMPPCELOI-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.12
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide

2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide (PubChem CID 55929836) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
PubChem CID55929836
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
SMILESCC(NC(=O)C(Oc1ccccc1C#N)C(C)C)c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N2O2/c1-12(2)19(26-18-7-5-4-6-14(18)11-23)20(25)24-13(3)16-9-8-15(21)10-17(16)22/h4-10,12-13,19H,1-3H3,(H,24,25)
InChIKeyGMOOAHMPPCELOI-UHFFFAOYSA-N
XLogP4.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275053
(2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 7382543
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 43702013
N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 110879965
N-[3-[[[2-(2-cyanophenoxy)-3-methylbutanoyl]amino]methyl]phenyl]-3-fluorobenzamide
CID 55947736
4-chloro-N-[2-[[2-(2-cyanophenoxy)-3-methylbutanoyl]amino]ethyl]benzamide
CID 55940470
4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496981
(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 39927724
N-[1-[1-(2,4-difluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 51150373
methyl (2S,3R)-3-[[(2R)-2-(2-cyanophenoxy)-3-methylbutanoyl]sulfamoyl]-2-methylbutanoate
CID 99800406
2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55928847
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide (CID 55929836) is 2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide is CC(NC(=O)C(Oc1ccccc1C#N)C(C)C)c1ccc(F)cc1F.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide?
The InChIKey is GMOOAHMPPCELOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-12(2)19(26-18-7-5-4-6-14(18)11-23)20(25)24-13(3)16-9-8-15(21)10-17(16)22/h4-10,12-13,19H,1-3H3,(H,24,25).
What are the key properties of 2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide?
2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide has a molecular weight of 358.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 55929836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).