2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile

C16H14F2N2 — CID 107902818

IUPAC2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile
SMILESCCN(Cc1cc(F)ccc1C#N)c1ccccc1F
InChIInChI=1S/C16H14F2N2/c1-2-20(16-6-4-3-5-15(16)18)11-13-9-14(17)8-7-12(13)10-19/h3-9H,2,11H2,1H3
InChIKeyZRMDAZNPQDYPPD-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.86
Rot. Bonds4

About 2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile

2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile (PubChem CID 107902818) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile
PubChem CID107902818
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile
SMILESCCN(Cc1cc(F)ccc1C#N)c1ccccc1F
InChIInChI=1S/C16H14F2N2/c1-2-20(16-6-4-3-5-15(16)18)11-13-9-14(17)8-7-12(13)10-19/h3-9H,2,11H2,1H3
InChIKeyZRMDAZNPQDYPPD-UHFFFAOYSA-N
XLogP3.86
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(N-butylanilino)methyl]-4-fluorobenzonitrile
CID 107902866
2-[[benzyl(ethyl)amino]methyl]-4-fluorobenzonitrile
CID 103760548
2-[(4-chloro-N-propylanilino)methyl]-4-fluorobenzonitrile
CID 135144505
2-[(dimethylamino)methyl]-4-fluorobenzonitrile
CID 59429384
2-[[cyanomethyl(ethyl)amino]methyl]-4-fluorobenzonitrile
CID 103760707
2-[[benzyl(propan-2-yl)amino]methyl]-4-fluorobenzonitrile
CID 103760606
2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol
CID 107701862
4-fluoro-2-[(4-methoxy-N-propylanilino)methyl]benzonitrile
CID 135144495
2-[(2-aminophenyl)methyl-ethylamino]benzonitrile
CID 60877021
4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol
CID 104667270
4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol
CID 82981844
2-(bromomethyl)-4-fluorobenzonitrile;ethane
CID 144867775

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile (CID 107902818) is 2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile is CCN(Cc1cc(F)ccc1C#N)c1ccccc1F.
What is the InChIKey of 2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile?
The InChIKey is ZRMDAZNPQDYPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2/c1-2-20(16-6-4-3-5-15(16)18)11-13-9-14(17)8-7-12(13)10-19/h3-9H,2,11H2,1H3.
What are the key properties of 2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile?
2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile has a molecular weight of 272.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 107902818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).