4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile

C15H11Cl2FN2 — CID 115367084

IUPAC4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile
SMILESN#Cc1ccc(NCCc2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C15H11Cl2FN2/c16-12-3-1-10(14(17)7-12)5-6-20-13-4-2-11(9-19)15(18)8-13/h1-4,7-8,20H,5-6H2
InChIKeyMMUOWBGVPAISKG-UHFFFAOYSA-N
MW309.17 g/mol
LogP4.66
Rot. Bonds4

About 4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile

4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile (PubChem CID 115367084) has the molecular formula C15H11Cl2FN2 and a molecular weight of 309.17 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile
PubChem CID115367084
Molecular FormulaC15H11Cl2FN2
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile
SMILESN#Cc1ccc(NCCc2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C15H11Cl2FN2/c16-12-3-1-10(14(17)7-12)5-6-20-13-4-2-11(9-19)15(18)8-13/h1-4,7-8,20H,5-6H2
InChIKeyMMUOWBGVPAISKG-UHFFFAOYSA-N
XLogP4.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile 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-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile
CID 55133882
2-fluoro-4-(propylamino)benzonitrile
CID 115366947
2-[2-(2,4-dichlorophenyl)ethylamino]pyridine-3-carbonitrile
CID 26472030
N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63536432
3-chloro-4-[2-(2,4-dichlorophenyl)ethylamino]benzonitrile
CID 63511428
2-fluoro-4-[2-(1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 115367543
N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 63536591
4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline
CID 130243936
5-[(2-chloro-4-methylphenyl)methylamino]-2-fluorobenzonitrile
CID 106862578
2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 114183799
4-amino-3-[2-(2,4-dichlorophenyl)ethylamino]benzonitrile
CID 104711386
2-fluoro-4-(3-hydroxybutylamino)benzonitrile
CID 115367592

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile?
The IUPAC name of 4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile (CID 115367084) is 4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile?
The canonical SMILES for 4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile is N#Cc1ccc(NCCc2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of 4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile?
The InChIKey is MMUOWBGVPAISKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2/c16-12-3-1-10(14(17)7-12)5-6-20-13-4-2-11(9-19)15(18)8-13/h1-4,7-8,20H,5-6H2.
What are the key properties of 4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile?
4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile has a molecular weight of 309.17 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile is sourced from PubChem (CID 115367084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).