2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile

C20H16FNO — CID 82139778

IUPAC2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
SMILESCOc1ccc(F)cc1C(C#N)Cc1cccc2ccccc12
InChIInChI=1S/C20H16FNO/c1-23-20-10-9-17(21)12-19(20)16(13-22)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-10,12,16H,11H2,1H3
InChIKeyYCWNVHSMEQKCJV-UHFFFAOYSA-N
MW305.35 g/mol
LogP4.84
Rot. Bonds4

About 2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile

2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile (PubChem CID 82139778) has the molecular formula C20H16FNO and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
PubChem CID82139778
Molecular FormulaC20H16FNO
Molecular Weight305.35 g/mol
Exact Mass305.12
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
SMILESCOc1ccc(F)cc1C(C#N)Cc1cccc2ccccc12
InChIInChI=1S/C20H16FNO/c1-23-20-10-9-17(21)12-19(20)16(13-22)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-10,12,16H,11H2,1H3
InChIKeyYCWNVHSMEQKCJV-UHFFFAOYSA-N
XLogP4.84
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
CID 82139768
3-[1-cyano-2-(5-fluoro-2-methoxyphenyl)ethyl]benzonitrile
CID 82141934
3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140609
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile
CID 82091793
3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile
CID 82141211
1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol
CID 105397651
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
3-(2,5-dimethylphenyl)-2-naphthalen-1-ylpropanenitrile
CID 82141330
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
1-(4-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanol
CID 65149639
(3S)-3-amino-3-(5-fluoro-2-methoxyphenyl)propanenitrile
CID 131016140

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile (CID 82139778) is 2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile is COc1ccc(F)cc1C(C#N)Cc1cccc2ccccc12.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile?
The InChIKey is YCWNVHSMEQKCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO/c1-23-20-10-9-17(21)12-19(20)16(13-22)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-10,12,16H,11H2,1H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile?
2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile has a molecular weight of 305.35 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile is sourced from PubChem (CID 82139778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).