2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide

C18H16F2N2O3 — CID 86843627

IUPAC2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C18H16F2N2O3/c1-12(24-15-7-4-5-13(9-15)10-21)17(23)22-11-14-6-2-3-8-16(14)25-18(19)20/h2-9,12,18H,11H2,1H3,(H,22,23)
InChIKeyZRXRADHHPHXPRP-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.24
Rot. Bonds7

About 2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide

2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide (PubChem CID 86843627) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
PubChem CID86843627
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C18H16F2N2O3/c1-12(24-15-7-4-5-13(9-15)10-21)17(23)22-11-14-6-2-3-8-16(14)25-18(19)20/h2-9,12,18H,11H2,1H3,(H,22,23)
InChIKeyZRXRADHHPHXPRP-UHFFFAOYSA-N
XLogP3.24
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
(2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 7964302
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide
CID 111334999
2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 71685051
(2S)-2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 52784598
[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856174
3-(difluoromethoxy)benzonitrile
CID 2736988
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea
CID 78833839
(3-cyanophenyl) 2-(difluoromethoxy)benzoate
CID 18080102
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 92679385
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide (CID 86843627) is 2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide is CC(Oc1cccc(C#N)c1)C(=O)NCc1ccccc1OC(F)F.
What is the InChIKey of 2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is ZRXRADHHPHXPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-12(24-15-7-4-5-13(9-15)10-21)17(23)22-11-14-6-2-3-8-16(14)25-18(19)20/h2-9,12,18H,11H2,1H3,(H,22,23).
What are the key properties of 2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide?
2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 346.33 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 86843627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).