2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile

C15H12ClFN2O2 — CID 78916069

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile
SMILESCOc1cc(Nc2cccc(F)c2C#N)c(OC)cc1Cl
InChIInChI=1S/C15H12ClFN2O2/c1-20-14-7-13(15(21-2)6-10(14)16)19-12-5-3-4-11(17)9(12)8-18/h3-7,19H,1-2H3
InChIKeyABUUJKNDIXGAIS-UHFFFAOYSA-N
MW306.72 g/mol
LogP4.11
Rot. Bonds4

About 2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile

2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile (PubChem CID 78916069) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile
PubChem CID78916069
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile
SMILESCOc1cc(Nc2cccc(F)c2C#N)c(OC)cc1Cl
InChIInChI=1S/C15H12ClFN2O2/c1-20-14-7-13(15(21-2)6-10(14)16)19-12-5-3-4-11(17)9(12)8-18/h3-7,19H,1-2H3
InChIKeyABUUJKNDIXGAIS-UHFFFAOYSA-N
XLogP4.11
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
CID 103479550
2-chloro-6-(2,4-dibromo-5-methoxyanilino)benzonitrile
CID 103414163
2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile
CID 104723792
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877853
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile
CID 28550578
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771
2-fluoro-6-[1-(2-methoxyphenyl)ethylamino]benzonitrile
CID 43398727
2-bromo-6-(2,4-dibromo-5-methoxyanilino)benzonitrile
CID 103414153
4-chloro-N-(3-fluoro-2-nitrophenyl)-2-methoxy-5-methylaniline
CID 63548373

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile (CID 78916069) is 2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile is COc1cc(Nc2cccc(F)c2C#N)c(OC)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile?
The InChIKey is ABUUJKNDIXGAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c1-20-14-7-13(15(21-2)6-10(14)16)19-12-5-3-4-11(17)9(12)8-18/h3-7,19H,1-2H3.
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile?
2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile has a molecular weight of 306.72 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 78916069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).