3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile

C15H13ClN2OS — CID 133363686

IUPAC3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile
SMILESN#Cc1cccc(Cl)c1N1CCOC(c2cccs2)C1
InChIInChI=1S/C15H13ClN2OS/c16-12-4-1-3-11(9-17)15(12)18-6-7-19-13(10-18)14-5-2-8-20-14/h1-5,8,13H,6-7,10H2
InChIKeyNFKVXZZZLBWBOS-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.85
Rot. Bonds2

About 3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile

3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile (PubChem CID 133363686) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile.

Molecular Properties

Compound Name3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile
PubChem CID133363686
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile
SMILESN#Cc1cccc(Cl)c1N1CCOC(c2cccs2)C1
InChIInChI=1S/C15H13ClN2OS/c16-12-4-1-3-11(9-17)15(12)18-6-7-19-13(10-18)14-5-2-8-20-14/h1-5,8,13H,6-7,10H2
InChIKeyNFKVXZZZLBWBOS-UHFFFAOYSA-N
XLogP3.85
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile?
The IUPAC name of 3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile (CID 133363686) is 3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile.
What is the SMILES notation for 3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile?
The canonical SMILES for 3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile is N#Cc1cccc(Cl)c1N1CCOC(c2cccs2)C1.
What is the InChIKey of 3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile?
The InChIKey is NFKVXZZZLBWBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-12-4-1-3-11(9-17)15(12)18-6-7-19-13(10-18)14-5-2-8-20-14/h1-5,8,13H,6-7,10H2.
What are the key properties of 3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile?
3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile has a molecular weight of 304.80 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile is sourced from PubChem (CID 133363686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).