2-[cyano-(3-fluoroanilino)methyl]benzonitrile

C15H10FN3 — CID 107936311

IUPAC2-[cyano-(3-fluoroanilino)methyl]benzonitrile
SMILESN#Cc1ccccc1C(C#N)Nc1cccc(F)c1
InChIInChI=1S/C15H10FN3/c16-12-5-3-6-13(8-12)19-15(10-18)14-7-2-1-4-11(14)9-17/h1-8,15,19H
InChIKeySFGNPEVQMXPUBR-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.37
Rot. Bonds3

About 2-[cyano-(3-fluoroanilino)methyl]benzonitrile

2-[cyano-(3-fluoroanilino)methyl]benzonitrile (PubChem CID 107936311) has the molecular formula C15H10FN3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-[cyano-(3-fluoroanilino)methyl]benzonitrile.

Molecular Properties

Compound Name2-[cyano-(3-fluoroanilino)methyl]benzonitrile
PubChem CID107936311
Molecular FormulaC15H10FN3
Molecular Weight251.26 g/mol
Exact Mass251.09
IUPAC Name2-[cyano-(3-fluoroanilino)methyl]benzonitrile
SMILESN#Cc1ccccc1C(C#N)Nc1cccc(F)c1
InChIInChI=1S/C15H10FN3/c16-12-5-3-6-13(8-12)19-15(10-18)14-7-2-1-4-11(14)9-17/h1-8,15,19H
InChIKeySFGNPEVQMXPUBR-UHFFFAOYSA-N
XLogP3.37
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886838
(2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile
CID 129394744
2-[(4-bromoanilino)-cyanomethyl]benzonitrile
CID 107936305
2-(1-benzothiophen-3-yl)-2-(3-fluoroanilino)acetonitrile
CID 62699810
2-(4-bromothiophen-2-yl)-2-(3-fluoroanilino)acetonitrile
CID 61346419
2-(3-bromo-4-fluorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886516
2-(3-bromothiophen-2-yl)-2-(3-fluoroanilino)acetonitrile
CID 115380533
2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile
CID 55234730
2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile
CID 63669114
3-[(3-chloro-4-fluoroanilino)-cyanomethyl]-2-hydroxybenzonitrile
CID 86281410
2-(3,5-dimethoxyphenyl)-2-(3-fluoroanilino)acetonitrile
CID 60990264
2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
CID 107686150

Frequently Asked Questions

What is the IUPAC name of 2-[cyano-(3-fluoroanilino)methyl]benzonitrile?
The IUPAC name of 2-[cyano-(3-fluoroanilino)methyl]benzonitrile (CID 107936311) is 2-[cyano-(3-fluoroanilino)methyl]benzonitrile.
What is the SMILES notation for 2-[cyano-(3-fluoroanilino)methyl]benzonitrile?
The canonical SMILES for 2-[cyano-(3-fluoroanilino)methyl]benzonitrile is N#Cc1ccccc1C(C#N)Nc1cccc(F)c1.
What is the InChIKey of 2-[cyano-(3-fluoroanilino)methyl]benzonitrile?
The InChIKey is SFGNPEVQMXPUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3/c16-12-5-3-6-13(8-12)19-15(10-18)14-7-2-1-4-11(14)9-17/h1-8,15,19H.
What are the key properties of 2-[cyano-(3-fluoroanilino)methyl]benzonitrile?
2-[cyano-(3-fluoroanilino)methyl]benzonitrile has a molecular weight of 251.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyano-(3-fluoroanilino)methyl]benzonitrile is sourced from PubChem (CID 107936311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).