2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile

C15H12F2N2O — CID 107106440

IUPAC2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1Nc1ccccc1OC(F)F
InChIInChI=1S/C15H12F2N2O/c1-10-5-4-6-11(9-18)14(10)19-12-7-2-3-8-13(12)20-15(16)17/h2-8,15,19H,1H3
InChIKeyKNQCGLBLEWYORP-UHFFFAOYSA-N
MW274.27 g/mol
LogP4.21
Rot. Bonds4

About 2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile

2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile (PubChem CID 107106440) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile
PubChem CID107106440
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1Nc1ccccc1OC(F)F
InChIInChI=1S/C15H12F2N2O/c1-10-5-4-6-11(9-18)14(10)19-12-7-2-3-8-13(12)20-15(16)17/h2-8,15,19H,1H3
InChIKeyKNQCGLBLEWYORP-UHFFFAOYSA-N
XLogP4.21
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylanilino)benzonitrile
CID 29041998
2-(2-bromoanilino)-3-methylbenzonitrile
CID 107106356
3-methyl-2-(naphthalen-1-ylamino)benzonitrile
CID 107106270
5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile
CID 114890442
3-[2-(difluoromethoxy)anilino]benzonitrile
CID 102815274
2-(2-amino-6-methylanilino)benzonitrile
CID 113333675
2-(4-chloro-2-methoxy-5-methylanilino)-3-methylbenzonitrile
CID 107106284
2-(2-fluoro-5-methoxyanilino)-3-methylbenzonitrile
CID 107107062
2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile
CID 107106329
2-bromo-3-(difluoromethoxy)benzonitrile
CID 118996349
2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile
CID 107107220
2-(4-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107107135

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile?
The IUPAC name of 2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile (CID 107106440) is 2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile.
What is the SMILES notation for 2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile?
The canonical SMILES for 2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile is Cc1cccc(C#N)c1Nc1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile?
The InChIKey is KNQCGLBLEWYORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-10-5-4-6-11(9-18)14(10)19-12-7-2-3-8-13(12)20-15(16)17/h2-8,15,19H,1H3.
What are the key properties of 2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile?
2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile has a molecular weight of 274.27 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile is sourced from PubChem (CID 107106440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).