4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile

C20H19FN2O2 — CID 134044332

IUPAC4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile
SMILESN#Cc1ccc(CCC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H19FN2O2/c21-18-8-6-17(7-9-18)19-14-23(11-12-25-19)20(24)10-5-15-1-3-16(13-22)4-2-15/h1-4,6-9,19H,5,10-12,14H2
InChIKeyHTXDSSNZHOLXDW-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.23
Rot. Bonds4

About 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile

4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile (PubChem CID 134044332) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile
PubChem CID134044332
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile
SMILESN#Cc1ccc(CCC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H19FN2O2/c21-18-8-6-17(7-9-18)19-14-23(11-12-25-19)20(24)10-5-15-1-3-16(13-22)4-2-15/h1-4,6-9,19H,5,10-12,14H2
InChIKeyHTXDSSNZHOLXDW-UHFFFAOYSA-N
XLogP3.23
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile
CID 55738682
3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile
CID 124883023
(2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid
CID 66862110
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one
CID 129330853
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile
CID 124614694
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 60964272

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile?
The IUPAC name of 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile (CID 134044332) is 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile.
What is the SMILES notation for 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile?
The canonical SMILES for 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile is N#Cc1ccc(CCC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile?
The InChIKey is HTXDSSNZHOLXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-18-8-6-17(7-9-18)19-14-23(11-12-25-19)20(24)10-5-15-1-3-16(13-22)4-2-15/h1-4,6-9,19H,5,10-12,14H2.
What are the key properties of 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile?
4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile has a molecular weight of 338.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile is sourced from PubChem (CID 134044332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).