2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile

C14H10Cl2N2 — CID 2804377

IUPAC2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile
SMILESN#Cc1c(Cl)cccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N2/c15-11-6-4-10(5-7-11)9-18-14-3-1-2-13(16)12(14)8-17/h1-7,18H,9H2
InChIKeyDZZNEWNTPODQDZ-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.48
Rot. Bonds3

About 2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile

2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile (PubChem CID 2804377) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile
PubChem CID2804377
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile
SMILESN#Cc1c(Cl)cccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N2/c15-11-6-4-10(5-7-11)9-18-14-3-1-2-13(16)12(14)8-17/h1-7,18H,9H2
InChIKeyDZZNEWNTPODQDZ-UHFFFAOYSA-N
XLogP4.48
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6-[(4-chlorophenyl)methylamino]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 2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile?
The IUPAC name of 2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile (CID 2804377) is 2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile.
What is the SMILES notation for 2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile?
The canonical SMILES for 2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile is N#Cc1c(Cl)cccc1NCc1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile?
The InChIKey is DZZNEWNTPODQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c15-11-6-4-10(5-7-11)9-18-14-3-1-2-13(16)12(14)8-17/h1-7,18H,9H2.
What are the key properties of 2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile?
2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile has a molecular weight of 277.15 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-chlorophenyl)methylamino]benzonitrile is sourced from PubChem (CID 2804377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).