5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile

C15H11ClF2N2 — CID 62318208

IUPAC5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile
SMILESCC(Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClF2N2/c1-9(13-4-2-11(17)7-14(13)16)20-12-3-5-15(18)10(6-12)8-19/h2-7,9,20H,1H3
InChIKeyNHLPQJRCWZKRPC-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.66
Rot. Bonds3

About 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile

5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile (PubChem CID 62318208) has the molecular formula C15H11ClF2N2 and a molecular weight of 292.72 g/mol. Its IUPAC name is 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile
PubChem CID62318208
Molecular FormulaC15H11ClF2N2
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile
SMILESCC(Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClF2N2/c1-9(13-4-2-11(17)7-14(13)16)20-12-3-5-15(18)10(6-12)8-19/h2-7,9,20H,1H3
InChIKeyNHLPQJRCWZKRPC-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
5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile
CID 62318191
2-chloro-4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]benzonitrile
CID 43775118
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine
CID 43780295
2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile
CID 43686857
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107701003
4-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-nitroaniline
CID 43785747
2-chloro-5-[1-(4-fluoro-3-methoxyphenyl)ethylamino]benzonitrile
CID 83060054
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43766019
4-[1-(2,4-difluorophenyl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 56583939
2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 43773688

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile?
The IUPAC name of 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile (CID 62318208) is 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile is CC(Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1Cl.
What is the InChIKey of 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile?
The InChIKey is NHLPQJRCWZKRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2/c1-9(13-4-2-11(17)7-14(13)16)20-12-3-5-15(18)10(6-12)8-19/h2-7,9,20H,1H3.
What are the key properties of 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile?
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile 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 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile is sourced from PubChem (CID 62318208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).