2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile

C15H12ClFN2 — CID 55133882

IUPAC2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile
SMILESN#Cc1ccc(NCCc2ccccc2F)cc1Cl
InChIInChI=1S/C15H12ClFN2/c16-14-9-13(6-5-12(14)10-18)19-8-7-11-3-1-2-4-15(11)17/h1-6,9,19H,7-8H2
InChIKeyYRALZNRCIHZASB-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.01
Rot. Bonds4

About 2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile

2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile (PubChem CID 55133882) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile
PubChem CID55133882
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile
SMILESN#Cc1ccc(NCCc2ccccc2F)cc1Cl
InChIInChI=1S/C15H12ClFN2/c16-14-9-13(6-5-12(14)10-18)19-8-7-11-3-1-2-4-15(11)17/h1-6,9,19H,7-8H2
InChIKeyYRALZNRCIHZASB-UHFFFAOYSA-N
XLogP4.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile
CID 115367084
2-chloro-4-[(3-chloro-2-fluorophenyl)methylamino]benzonitrile
CID 115658600
4-(3-aminopropylamino)-2-chlorobenzonitrile
CID 62944504
3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107056743
2-chloro-4-(pentylamino)benzonitrile
CID 43168369
2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile
CID 107275835
2-chloro-4-(4,4,4-trifluorobutylamino)benzonitrile
CID 79040119
2-chloro-5-(2-phenylethylamino)benzonitrile
CID 43425627
2-chloro-4-[(2,4-dihydroxyphenyl)methylamino]benzonitrile
CID 43168403
2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
CID 107106323
2-chloro-4-[(2-nitrophenyl)methylamino]benzonitrile
CID 43347941
N-(3-chloro-4-fluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile?
The IUPAC name of 2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile (CID 55133882) is 2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile.
What is the SMILES notation for 2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile?
The canonical SMILES for 2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile is N#Cc1ccc(NCCc2ccccc2F)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile?
The InChIKey is YRALZNRCIHZASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c16-14-9-13(6-5-12(14)10-18)19-8-7-11-3-1-2-4-15(11)17/h1-6,9,19H,7-8H2.
What are the key properties of 2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile?
2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile has a molecular weight of 274.73 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile is sourced from PubChem (CID 55133882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).