2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide

C17H15FN2O2 — CID 75800083

IUPAC2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2cccc(C#N)c2)c(F)c1
InChIInChI=1S/C17H15FN2O2/c1-11-6-7-16(15(18)8-11)20-17(21)12(2)22-14-5-3-4-13(9-14)10-19/h3-9,12H,1-2H3,(H,20,21)
InChIKeyDOLJNAPHBPTDBO-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.41
Rot. Bonds4

About 2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide

2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide (PubChem CID 75800083) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide
PubChem CID75800083
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2cccc(C#N)c2)c(F)c1
InChIInChI=1S/C17H15FN2O2/c1-11-6-7-16(15(18)8-11)20-17(21)12(2)22-14-5-3-4-13(9-14)10-19/h3-9,12H,1-2H3,(H,20,21)
InChIKeyDOLJNAPHBPTDBO-UHFFFAOYSA-N
XLogP3.41
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7964286
2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 7964016
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
(2R)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
CID 7964177
(2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
CID 7964176
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide
CID 2989906
(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7964261
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737879
(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide (CID 75800083) is 2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Oc2cccc(C#N)c2)c(F)c1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide?
The InChIKey is DOLJNAPHBPTDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11-6-7-16(15(18)8-11)20-17(21)12(2)22-14-5-3-4-13(9-14)10-19/h3-9,12H,1-2H3,(H,20,21).
What are the key properties of 2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide?
2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide has a molecular weight of 298.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 75800083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).