2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile

C15H12F2N2 — CID 63669114

IUPAC2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile
SMILESCc1cccc(NC(C#N)c2cccc(F)c2F)c1
InChIInChI=1S/C15H12F2N2/c1-10-4-2-5-11(8-10)19-14(9-18)12-6-3-7-13(16)15(12)17/h2-8,14,19H,1H3
InChIKeyAAZSOGVOHIYPSP-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.95
Rot. Bonds3

About 2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile

2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile (PubChem CID 63669114) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile
PubChem CID63669114
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile
SMILESCc1cccc(NC(C#N)c2cccc(F)c2F)c1
InChIInChI=1S/C15H12F2N2/c1-10-4-2-5-11(8-10)19-14(9-18)12-6-3-7-13(16)15(12)17/h2-8,14,19H,1H3
InChIKeyAAZSOGVOHIYPSP-UHFFFAOYSA-N
XLogP3.95
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile
CID 55234730
2-(4-bromo-2-fluorophenyl)-2-(3-methylanilino)acetonitrile
CID 54886740
2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile
CID 63648282
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
CID 63668597
2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
CID 79055378
2-[cyano-(3-fluoroanilino)methyl]benzonitrile
CID 107936311
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile
CID 63669621
2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886838
2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methylanilino)acetonitrile
CID 102840148
2-bromo-2-(2,3-difluorophenyl)acetonitrile
CID 83086922
2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
CID 79055219

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile?
The IUPAC name of 2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile (CID 63669114) is 2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile?
The canonical SMILES for 2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile is Cc1cccc(NC(C#N)c2cccc(F)c2F)c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile?
The InChIKey is AAZSOGVOHIYPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c1-10-4-2-5-11(8-10)19-14(9-18)12-6-3-7-13(16)15(12)17/h2-8,14,19H,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile?
2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile has a molecular weight of 258.27 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile is sourced from PubChem (CID 63669114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).