2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile

C14H9Cl2FN2 — CID 62539428

IUPAC2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1c(Cl)cccc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9Cl2FN2/c15-11-2-1-3-14(10(11)7-18)19-8-9-4-5-13(17)12(16)6-9/h1-6,19H,8H2
InChIKeyWADGQMCHNPEPKF-UHFFFAOYSA-N
MW295.14 g/mol
LogP4.62
Rot. Bonds3

About 2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile

2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile (PubChem CID 62539428) has the molecular formula C14H9Cl2FN2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile
PubChem CID62539428
Molecular FormulaC14H9Cl2FN2
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1c(Cl)cccc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9Cl2FN2/c15-11-2-1-3-14(10(11)7-18)19-8-9-4-5-13(17)12(16)6-9/h1-6,19H,8H2
InChIKeyWADGQMCHNPEPKF-UHFFFAOYSA-N
XLogP4.62
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6-[(3-chloro-4-fluorophenyl)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

Related Compounds

2-[(3-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 62500403
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine
CID 81144303
2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile
CID 107803347
3-[(3-chloro-2-cyanoanilino)methyl]benzoic acid
CID 62502243
2-[(3-cyano-4-fluorophenyl)methylamino]-6-methylbenzonitrile
CID 107880704
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580270
2-[(4-bromo-3-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 78982287
2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile
CID 65316370
2-chloro-6-[(1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 61361195
2-(2-aminoethylamino)-6-chlorobenzonitrile
CID 62496330
2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile
CID 107803129

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile?
The IUPAC name of 2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile (CID 62539428) is 2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile.
What is the SMILES notation for 2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile?
The canonical SMILES for 2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile is N#Cc1c(Cl)cccc1NCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile?
The InChIKey is WADGQMCHNPEPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2/c15-11-2-1-3-14(10(11)7-18)19-8-9-4-5-13(17)12(16)6-9/h1-6,19H,8H2.
What are the key properties of 2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile?
2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile has a molecular weight of 295.14 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile is sourced from PubChem (CID 62539428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).