5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile

C15H12ClFN2 — CID 62318191

IUPAC5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile
SMILESCC(Nc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFN2/c1-10(11-2-4-13(16)5-3-11)19-14-6-7-15(17)12(8-14)9-18/h2-8,10,19H,1H3
InChIKeyUIBGMSLIGYZLDW-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.52
Rot. Bonds3

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

5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile (PubChem CID 62318191) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile
PubChem CID62318191
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile
SMILESCC(Nc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFN2/c1-10(11-2-4-13(16)5-3-11)19-14-6-7-15(17)12(8-14)9-18/h2-8,10,19H,1H3
InChIKeyUIBGMSLIGYZLDW-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-5-(1-thiophen-3-ylethylamino)benzonitrile
CID 55058157
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile
CID 62318208
2-chloro-5-[1-(4-fluoro-3-methoxyphenyl)ethylamino]benzonitrile
CID 83060054
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
4-[1-(3,4-dichlorophenyl)ethylamino]benzene-1,2-dicarbonitrile
CID 107788207
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541
4-[1-(4-bromophenyl)ethylamino]-2-chlorobenzonitrile
CID 43348025
5-[1-(4-bromothiophen-2-yl)ethylamino]-2-fluorobenzonitrile
CID 107354351
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
2-fluoro-5-(pentan-2-ylamino)benzonitrile
CID 62317133

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile?
The IUPAC name of 5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile (CID 62318191) is 5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile is CC(Nc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile?
The InChIKey is UIBGMSLIGYZLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c1-10(11-2-4-13(16)5-3-11)19-14-6-7-15(17)12(8-14)9-18/h2-8,10,19H,1H3.
What are the key properties of 5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile?
5-[1-(4-chlorophenyl)ethylamino]-2-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 5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile is sourced from PubChem (CID 62318191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).