2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile

C16H14ClFN2 — CID 115994254

IUPAC2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile
SMILESCCC(Nc1ccc(Cl)c(C#N)c1)c1ccccc1F
InChIInChI=1S/C16H14ClFN2/c1-2-16(13-5-3-4-6-15(13)18)20-12-7-8-14(17)11(9-12)10-19/h3-9,16,20H,2H2,1H3
InChIKeyFVMRUUOUIIIFRH-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.91
Rot. Bonds4

About 2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile

2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile (PubChem CID 115994254) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile
PubChem CID115994254
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile
SMILESCCC(Nc1ccc(Cl)c(C#N)c1)c1ccccc1F
InChIInChI=1S/C16H14ClFN2/c1-2-16(13-5-3-4-6-15(13)18)20-12-7-8-14(17)11(9-12)10-19/h3-9,16,20H,2H2,1H3
InChIKeyFVMRUUOUIIIFRH-UHFFFAOYSA-N
XLogP4.91
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(2-fluorophenyl)propyl]-3-methoxyaniline
CID 107621034
2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile
CID 43686857
4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43786118
2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile
CID 115994291
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile
CID 43686866
2-[1-(3,4-dichloroanilino)propyl]phenol
CID 43105604
5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one
CID 115994190
2-chloro-5-[1-(4-fluoro-3-methoxyphenyl)ethylamino]benzonitrile
CID 83060054
4-chloro-3-[1-(2-fluorophenyl)propylamino]benzamide
CID 115994237
2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 102868440
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile?
The IUPAC name of 2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile (CID 115994254) is 2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile.
What is the SMILES notation for 2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile?
The canonical SMILES for 2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile is CCC(Nc1ccc(Cl)c(C#N)c1)c1ccccc1F.
What is the InChIKey of 2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile?
The InChIKey is FVMRUUOUIIIFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c1-2-16(13-5-3-4-6-15(13)18)20-12-7-8-14(17)11(9-12)10-19/h3-9,16,20H,2H2,1H3.
What are the key properties of 2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile?
2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile has a molecular weight of 288.75 g/mol, XLogP of 4.91, 4 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-fluorophenyl)propylamino]benzonitrile is sourced from PubChem (CID 115994254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).