2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile

C15H11ClF2N2 — CID 43686866

IUPAC2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(Cl)c(C#N)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H11ClF2N2/c1-9(13-4-2-11(17)7-15(13)18)20-12-3-5-14(16)10(6-12)8-19/h2-7,9,20H,1H3
InChIKeyNYCSBXGMBHQDGL-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.66
Rot. Bonds3

About 2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile

2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile (PubChem CID 43686866) has the molecular formula C15H11ClF2N2 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile
PubChem CID43686866
Molecular FormulaC15H11ClF2N2
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(Cl)c(C#N)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H11ClF2N2/c1-9(13-4-2-11(17)7-15(13)18)20-12-3-5-14(16)10(6-12)8-19/h2-7,9,20H,1H3
InChIKeyNYCSBXGMBHQDGL-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

5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile
CID 62318208
4-[1-(2,4-difluorophenyl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 56583939
2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile
CID 43686857
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 102868440
2-chloro-5-[1-(4-fluoro-3-methoxyphenyl)ethylamino]benzonitrile
CID 83060054
2-chloro-4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]benzonitrile
CID 43775118
2-chloro-4-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylamino]benzonitrile
CID 133314572
2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile
CID 65191967
2-(4-chloro-3-cyanoanilino)propanoic acid
CID 66173106
5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile
CID 62318191
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 32572910

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile?
The IUPAC name of 2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile (CID 43686866) is 2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile.
What is the SMILES notation for 2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile?
The canonical SMILES for 2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile is CC(Nc1ccc(Cl)c(C#N)c1)c1ccc(F)cc1F.
What is the InChIKey of 2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile?
The InChIKey is NYCSBXGMBHQDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2/c1-9(13-4-2-11(17)7-15(13)18)20-12-3-5-14(16)10(6-12)8-19/h2-7,9,20H,1H3.
What are the key properties of 2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile?
2-chloro-5-[1-(2,4-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-(2,4-difluorophenyl)ethylamino]benzonitrile is sourced from PubChem (CID 43686866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).