2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile

C15H12ClFN2 — CID 43399542

IUPAC2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile
SMILESCC(Nc1cccc(F)c1C#N)c1ccccc1Cl
InChIInChI=1S/C15H12ClFN2/c1-10(11-5-2-3-6-13(11)16)19-15-8-4-7-14(17)12(15)9-18/h2-8,10,19H,1H3
InChIKeyBQWRSWIWFYMXDN-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.52
Rot. Bonds3

About 2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile

2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile (PubChem CID 43399542) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile
PubChem CID43399542
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile
SMILESCC(Nc1cccc(F)c1C#N)c1ccccc1Cl
InChIInChI=1S/C15H12ClFN2/c1-10(11-5-2-3-6-13(11)16)19-15-8-4-7-14(17)12(15)9-18/h2-8,10,19H,1H3
InChIKeyBQWRSWIWFYMXDN-UHFFFAOYSA-N
XLogP4.52
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile
CID 43580283
2-fluoro-6-[1-(2-methoxyphenyl)ethylamino]benzonitrile
CID 43398727
2-fluoro-6-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 43402732
2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile
CID 43399529
2-fluoro-6-(4-methylpentan-2-ylamino)benzonitrile
CID 43580259
2-fluoro-6-(2-methylpentan-3-ylamino)benzonitrile
CID 43778303
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
CID 43111468
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-6-fluorobenzonitrile
CID 43580253
1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea
CID 43580526
2-fluoro-6-(4-hydroxybutan-2-ylamino)benzonitrile
CID 78997304
2-fluoro-6-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 133364002
2-fluoro-6-[(3-methyl-1-phenylbutyl)amino]benzonitrile
CID 43399649

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile (CID 43399542) is 2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile is CC(Nc1cccc(F)c1C#N)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile?
The InChIKey is BQWRSWIWFYMXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c1-10(11-5-2-3-6-13(11)16)19-15-8-4-7-14(17)12(15)9-18/h2-8,10,19H,1H3.
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile?
2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile has a molecular weight of 274.73 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile is sourced from PubChem (CID 43399542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).