4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile

C16H14F2N2 — CID 107933149

IUPAC4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile
SMILESCCc1cccc(C)c1Nc1ccc(C#N)c(F)c1F
InChIInChI=1S/C16H14F2N2/c1-3-11-6-4-5-10(2)16(11)20-13-8-7-12(9-19)14(17)15(13)18/h4-8,20H,3H2,1-2H3
InChIKeyAKPSBNMALONOJB-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.45
Rot. Bonds3

About 4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile

4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile (PubChem CID 107933149) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile
PubChem CID107933149
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile
SMILESCCc1cccc(C)c1Nc1ccc(C#N)c(F)c1F
InChIInChI=1S/C16H14F2N2/c1-3-11-6-4-5-10(2)16(11)20-13-8-7-12(9-19)14(17)15(13)18/h4-8,20H,3H2,1-2H3
InChIKeyAKPSBNMALONOJB-UHFFFAOYSA-N
XLogP4.45
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(2,6-diethylanilino)-3-fluorobenzonitrile
CID 107533023
4-(2-ethyl-6-methylanilino)-2,3-difluorobenzenecarbothioamide
CID 107934360
4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile
CID 107933320
2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile
CID 114880413
3-[(2,6-diethylanilino)methyl]-2-fluorobenzonitrile
CID 107114552
4-(2-ethyl-6-methylanilino)-3-fluorobenzoic acid
CID 82306613
4-(3-bromo-2-methylanilino)-2,3-difluorobenzonitrile
CID 107934305
3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile
CID 107056671
2-bromo-4-(4-bromo-2-ethylanilino)-3-fluorobenzonitrile
CID 107533888
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
N'-(2-ethyl-6-methylphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108954255
4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile
CID 107933151

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile?
The IUPAC name of 4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile (CID 107933149) is 4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile.
What is the SMILES notation for 4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile?
The canonical SMILES for 4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile is CCc1cccc(C)c1Nc1ccc(C#N)c(F)c1F.
What is the InChIKey of 4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile?
The InChIKey is AKPSBNMALONOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2/c1-3-11-6-4-5-10(2)16(11)20-13-8-7-12(9-19)14(17)15(13)18/h4-8,20H,3H2,1-2H3.
What are the key properties of 4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile?
4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile has a molecular weight of 272.30 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile is sourced from PubChem (CID 107933149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).