2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide

C16H12F2N2O2 — CID 51158907

IUPAC2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H12F2N2O2/c1-10(22-12-7-5-11(9-19)6-8-12)16(21)20-15-13(17)3-2-4-14(15)18/h2-8,10H,1H3,(H,20,21)
InChIKeyRCQHIXFHOZSMNW-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.24
Rot. Bonds4

About 2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide

2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide (PubChem CID 51158907) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide
PubChem CID51158907
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H12F2N2O2/c1-10(22-12-7-5-11(9-19)6-8-12)16(21)20-15-13(17)3-2-4-14(15)18/h2-8,10H,1H3,(H,20,21)
InChIKeyRCQHIXFHOZSMNW-UHFFFAOYSA-N
XLogP3.24
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-2-(4-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7503342
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983734
N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide
CID 16548334
(2S)-N-(2,6-difluorophenyl)-2-naphthalen-2-yloxypropanamide
CID 42561465
2-(4-cyanophenoxy)-N-(2-hydroxyphenyl)propanamide
CID 46665197
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
[(2S)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855281
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-fluorophenoxy)propanoate
CID 8935711
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
CID 78675814
(2S)-N-(2,6-difluorophenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949411

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide (CID 51158907) is 2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide?
The InChIKey is RCQHIXFHOZSMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-10(22-12-7-5-11(9-19)6-8-12)16(21)20-15-13(17)3-2-4-14(15)18/h2-8,10H,1H3,(H,20,21).
What are the key properties of 2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide?
2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide has a molecular weight of 302.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 51158907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).