4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile

C18H14ClN3O2 — CID 624519

IUPAC4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(Oc2ccc(Cl)cc2)c(N2CCOCC2)cc1C#N
InChIInChI=1S/C18H14ClN3O2/c19-15-1-3-16(4-2-15)24-18-10-14(12-21)13(11-20)9-17(18)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2
InChIKeyXWGOFQFDYYQRKC-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.71
Rot. Bonds3

About 4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile

4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile (PubChem CID 624519) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile
PubChem CID624519
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(Oc2ccc(Cl)cc2)c(N2CCOCC2)cc1C#N
InChIInChI=1S/C18H14ClN3O2/c19-15-1-3-16(4-2-15)24-18-10-14(12-21)13(11-20)9-17(18)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2
InChIKeyXWGOFQFDYYQRKC-UHFFFAOYSA-N
XLogP3.71
TPSA69.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile 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

N-[4-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide
CID 1087091
4-[2-(4-Chlorophenoxy)ethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 44524661
4-[2-(4-Chloro-3-fluorophenoxy)ethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 44524665
2-[[4-(4-Chlorophenyl)piperazin-1-yl]methyl]-4-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 156016923
US9809583, Example 56
CID 126600268
4-[2-(3,4-Dichlorophenoxy)ethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 44524662
2,3-dihydro-1H-pyrido[3,2,1-kl]phenoxazine-9,10-dicarbonitrile
CID 755829
4-(4-Chloro-3,5-dimethylphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile
CID 1503198
4-(2-Methoxyphenoxy)-5-(morpholin-4-yl)benzene-1,2-dicarbonitrile
CID 952339
4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile
CID 952340
4-(3,4-Dimethylphenoxy)-5-(1-piperidinyl)phthalonitrile
CID 952345
4-[5-[(4-Chlorophenoxy)methyl]-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)benzonitrile
CID 126600538

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile?
The IUPAC name of 4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile (CID 624519) is 4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile is N#Cc1cc(Oc2ccc(Cl)cc2)c(N2CCOCC2)cc1C#N.
What is the InChIKey of 4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile?
The InChIKey is XWGOFQFDYYQRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-15-1-3-16(4-2-15)24-18-10-14(12-21)13(11-20)9-17(18)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2.
What are the key properties of 4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile?
4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile has a molecular weight of 339.78 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile is sourced from PubChem (CID 624519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).