4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile

C15H10F4N2 — CID 107933737

IUPAC4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(NCCc2cc(F)cc(F)c2)c(F)c1F
InChIInChI=1S/C15H10F4N2/c16-11-5-9(6-12(17)7-11)3-4-21-13-2-1-10(8-20)14(18)15(13)19/h1-2,5-7,21H,3-4H2
InChIKeyIJRMRUUJHPUDMX-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.77
Rot. Bonds4

About 4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile

4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile (PubChem CID 107933737) has the molecular formula C15H10F4N2 and a molecular weight of 294.25 g/mol. Its IUPAC name is 4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile
PubChem CID107933737
Molecular FormulaC15H10F4N2
Molecular Weight294.25 g/mol
Exact Mass294.08
IUPAC Name4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(NCCc2cc(F)cc(F)c2)c(F)c1F
InChIInChI=1S/C15H10F4N2/c16-11-5-9(6-12(17)7-11)3-4-21-13-2-1-10(8-20)14(18)15(13)19/h1-2,5-7,21H,3-4H2
InChIKeyIJRMRUUJHPUDMX-UHFFFAOYSA-N
XLogP3.77
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-4-(2-phenylethylamino)benzonitrile
CID 107933230
3-amino-4-[2-(3,5-difluorophenyl)ethylamino]benzonitrile
CID 62605345
2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile
CID 78988425
4-[2-(5-chlorothiophen-2-yl)ethylamino]-2,3-difluorobenzonitrile
CID 106034926
2,3-difluoro-4-(6-hydroxyhexylamino)benzonitrile
CID 107934321
5-fluoro-2-(2-phenylethylamino)benzonitrile
CID 63672929
2,3-difluoro-4-(prop-2-ynylamino)benzonitrile
CID 107933287
2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide
CID 114175359
2-(4-cyano-2,3-difluoroanilino)ethylurea
CID 107934087
4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile
CID 107933302
N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-4-nitroaniline
CID 62301494
4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile
CID 107934150

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile?
The IUPAC name of 4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile (CID 107933737) is 4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile.
What is the SMILES notation for 4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile?
The canonical SMILES for 4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile is N#Cc1ccc(NCCc2cc(F)cc(F)c2)c(F)c1F.
What is the InChIKey of 4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile?
The InChIKey is IJRMRUUJHPUDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2/c16-11-5-9(6-12(17)7-11)3-4-21-13-2-1-10(8-20)14(18)15(13)19/h1-2,5-7,21H,3-4H2.
What are the key properties of 4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile?
4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile has a molecular weight of 294.25 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile is sourced from PubChem (CID 107933737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).