2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile

C15H11ClF2N2 — CID 43686857

IUPAC2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(Cl)c(C#N)c1)c1c(F)cccc1F
InChIInChI=1S/C15H11ClF2N2/c1-9(15-13(17)3-2-4-14(15)18)20-11-5-6-12(16)10(7-11)8-19/h2-7,9,20H,1H3
InChIKeyWEUAOKLKJWYNBY-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.66
Rot. Bonds3

About 2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile

2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile (PubChem CID 43686857) has the molecular formula C15H11ClF2N2 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile
PubChem CID43686857
Molecular FormulaC15H11ClF2N2
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(Cl)c(C#N)c1)c1c(F)cccc1F
InChIInChI=1S/C15H11ClF2N2/c1-9(15-13(17)3-2-4-14(15)18)20-11-5-6-12(16)10(7-11)8-19/h2-7,9,20H,1H3
InChIKeyWEUAOKLKJWYNBY-UHFFFAOYSA-N
XLogP4.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile
CID 43686866
2-chloro-4-[1-(2-fluoro-6-methoxyphenyl)ethylamino]benzonitrile
CID 115658366
2-chloro-5-[1-(3-cyanophenyl)ethylamino]benzonitrile
CID 43781788
2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 102868440
2-chloro-5-[1-(4-fluoro-3-methoxyphenyl)ethylamino]benzonitrile
CID 83060054
3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline
CID 107572509
2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile
CID 115994254
2-chloro-5-[1-(3-methoxyphenyl)ethylamino]benzonitrile
CID 43686946
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile
CID 62318208
5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile
CID 62318191
2-(4-chloro-3-cyanoanilino)propanoic acid
CID 66173106
4-[1-(3,4-dichlorophenyl)ethylamino]benzene-1,2-dicarbonitrile
CID 107788207

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile?
The IUPAC name of 2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile (CID 43686857) is 2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile.
What is the SMILES notation for 2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile?
The canonical SMILES for 2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile is CC(Nc1ccc(Cl)c(C#N)c1)c1c(F)cccc1F.
What is the InChIKey of 2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile?
The InChIKey is WEUAOKLKJWYNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2/c1-9(15-13(17)3-2-4-14(15)18)20-11-5-6-12(16)10(7-11)8-19/h2-7,9,20H,1H3.
What are the key properties of 2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile?
2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile has a molecular weight of 292.72 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile is sourced from PubChem (CID 43686857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).