2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile

C15H12F2N2O — CID 107933687

IUPAC2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile
SMILESCOc1ccc(N(C)c2ccc(C#N)c(F)c2F)cc1
InChIInChI=1S/C15H12F2N2O/c1-19(11-4-6-12(20-2)7-5-11)13-8-3-10(9-18)14(16)15(13)17/h3-8H,1-2H3
InChIKeyBQXMMYFCOGAXAN-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.61
Rot. Bonds3

About 2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile

2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile (PubChem CID 107933687) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile
PubChem CID107933687
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile
SMILESCOc1ccc(N(C)c2ccc(C#N)c(F)c2F)cc1
InChIInChI=1S/C15H12F2N2O/c1-19(11-4-6-12(20-2)7-5-11)13-8-3-10(9-18)14(16)15(13)17/h3-8H,1-2H3
InChIKeyBQXMMYFCOGAXAN-UHFFFAOYSA-N
XLogP3.61
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile
CID 107933214
4-chloro-2-(4-methoxy-N-methylanilino)benzonitrile
CID 63093755
2,3-difluoro-4-[1-methoxypropan-2-yl(methyl)amino]benzonitrile
CID 107933486
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile
CID 107933424
2-(4-cyano-N-methylanilino)-5-fluorobenzonitrile
CID 63673596
2-(N,3-dimethylanilino)-4-methoxybenzonitrile
CID 81299255
methyl 3-(4-cyano-2,3-difluoro-N-methylanilino)-2-methylpropanoate
CID 107933615
14-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-5,8-dicarbonitrile
CID 166882295
2,4-difluoro-3-methoxybenzonitrile
CID 3862763
4-fluoro-2-(4-methoxyphenyl)benzonitrile
CID 67042916
4-fluoro-2-[(4-methoxy-N-propylanilino)methyl]benzonitrile
CID 135144495

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile?
The IUPAC name of 2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile (CID 107933687) is 2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile.
What is the SMILES notation for 2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile?
The canonical SMILES for 2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile is COc1ccc(N(C)c2ccc(C#N)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile?
The InChIKey is BQXMMYFCOGAXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-19(11-4-6-12(20-2)7-5-11)13-8-3-10(9-18)14(16)15(13)17/h3-8H,1-2H3.
What are the key properties of 2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile?
2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile has a molecular weight of 274.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile is sourced from PubChem (CID 107933687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).