2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide

C19H19FN2O3 — CID 46650681

IUPAC2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)Oc2ccc(C#N)cc2)cc1F
InChIInChI=1S/C19H19FN2O3/c1-12(15-6-9-18(24-3)17(20)10-15)22-19(23)13(2)25-16-7-4-14(11-21)5-8-16/h4-10,12-13H,1-3H3,(H,22,23)
InChIKeyNRLUHFPLWBGXDM-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.35
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide

2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide (PubChem CID 46650681) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
PubChem CID46650681
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)Oc2ccc(C#N)cc2)cc1F
InChIInChI=1S/C19H19FN2O3/c1-12(15-6-9-18(24-3)17(20)10-15)22-19(23)13(2)25-16-7-4-14(11-21)5-8-16/h4-10,12-13H,1-3H3,(H,22,23)
InChIKeyNRLUHFPLWBGXDM-UHFFFAOYSA-N
XLogP3.35
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
CID 55793168
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide
CID 51193139
ethane;4-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzonitrile
CID 143144080
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
(2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 94024950
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
CID 51183672
3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119692503
methyl 2-[2-(4-cyanophenoxy)propanoylamino]-3-methylpentanoate
CID 78771684
(2R)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99130919

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide (CID 46650681) is 2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide is COc1ccc(C(C)NC(=O)C(C)Oc2ccc(C#N)cc2)cc1F.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide?
The InChIKey is NRLUHFPLWBGXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-12(15-6-9-18(24-3)17(20)10-15)22-19(23)13(2)25-16-7-4-14(11-21)5-8-16/h4-10,12-13H,1-3H3,(H,22,23).
What are the key properties of 2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide?
2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide has a molecular weight of 342.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 46650681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).