2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile

C15H12ClFN2 — CID 2805088

IUPAC2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFN2/c16-12-6-4-11(5-7-12)8-9-19-15-3-1-2-14(17)13(15)10-18/h1-7,19H,8-9H2
InChIKeyQPUDQUTZPZETBV-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.01
Rot. Bonds4

About 2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile

2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile (PubChem CID 2805088) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile
PubChem CID2805088
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFN2/c16-12-6-4-11(5-7-12)8-9-19-15-3-1-2-14(17)13(15)10-18/h1-7,19H,8-9H2
InChIKeyQPUDQUTZPZETBV-UHFFFAOYSA-N
XLogP4.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile (CID 2805088) is 2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile is N#Cc1c(F)cccc1NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile?
The InChIKey is QPUDQUTZPZETBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c16-12-6-4-11(5-7-12)8-9-19-15-3-1-2-14(17)13(15)10-18/h1-7,19H,8-9H2.
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile?
2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile has a molecular weight of 274.73 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-6-fluorobenzonitrile is sourced from PubChem (CID 2805088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).