4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile

C14H8ClN3O — CID 12978921

IUPAC4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(Cl)c(Oc2ccccc2N)cc1C#N
InChIInChI=1S/C14H8ClN3O/c15-11-5-9(7-16)10(8-17)6-14(11)19-13-4-2-1-3-12(13)18/h1-6H,18H2
InChIKeyOUZPOWWAKSIZNC-UHFFFAOYSA-N
MW269.69 g/mol
LogP3.46
Rot. Bonds2

About 4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile

4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile (PubChem CID 12978921) has the molecular formula C14H8ClN3O and a molecular weight of 269.69 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile
PubChem CID12978921
Molecular FormulaC14H8ClN3O
Molecular Weight269.69 g/mol
Exact Mass269.04
IUPAC Name4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(Cl)c(Oc2ccccc2N)cc1C#N
InChIInChI=1S/C14H8ClN3O/c15-11-5-9(7-16)10(8-17)6-14(11)19-13-4-2-1-3-12(13)18/h1-6H,18H2
InChIKeyOUZPOWWAKSIZNC-UHFFFAOYSA-N
XLogP3.46
TPSA82.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(2-aminophenoxy)-5-chlorobenzene-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

4-(2-aminophenoxy)-3-chloroaniline
CID 66486738
2-(2-chloro-5-methylphenoxy)aniline
CID 26189098
2-(2-amino-3-chlorophenoxy)benzonitrile
CID 104834949
2-amino-3-(2-chlorophenoxy)benzonitrile
CID 104717133
2-amino-3-(4-bromo-2,5-dichlorophenoxy)benzonitrile
CID 107655342
benzyl 2-(2-chloro-4,5-dicyanophenoxy)benzoate
CID 139067888
2-(2-amino-5-methylphenoxy)benzonitrile
CID 43363961
2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
CID 107061078
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
2-(2,6-diaminophenoxy)benzonitrile
CID 163217042
2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile
CID 62497150
2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile
CID 83409482

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile?
The IUPAC name of 4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile (CID 12978921) is 4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile is N#Cc1cc(Cl)c(Oc2ccccc2N)cc1C#N.
What is the InChIKey of 4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile?
The InChIKey is OUZPOWWAKSIZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O/c15-11-5-9(7-16)10(8-17)6-14(11)19-13-4-2-1-3-12(13)18/h1-6H,18H2.
What are the key properties of 4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile?
4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile has a molecular weight of 269.69 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile is sourced from PubChem (CID 12978921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).