4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile

C14H9ClF2N2O — CID 81283320

IUPAC4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile
SMILESCOc1ccc(Cl)cc1Nc1c(F)cc(C#N)cc1F
InChIInChI=1S/C14H9ClF2N2O/c1-20-13-3-2-9(15)6-12(13)19-14-10(16)4-8(7-18)5-11(14)17/h2-6,19H,1H3
InChIKeyLXWBJSLNTVOFLK-UHFFFAOYSA-N
MW294.69 g/mol
LogP4.24
Rot. Bonds3

About 4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile

4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile (PubChem CID 81283320) has the molecular formula C14H9ClF2N2O and a molecular weight of 294.69 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile
PubChem CID81283320
Molecular FormulaC14H9ClF2N2O
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile
SMILESCOc1ccc(Cl)cc1Nc1c(F)cc(C#N)cc1F
InChIInChI=1S/C14H9ClF2N2O/c1-20-13-3-2-9(15)6-12(13)19-14-10(16)4-8(7-18)5-11(14)17/h2-6,19H,1H3
InChIKeyLXWBJSLNTVOFLK-UHFFFAOYSA-N
XLogP4.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzenecarbothioamide
CID 81286336
2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile
CID 107106329
4-(4-amino-2,6-difluoroanilino)-3-methoxybenzonitrile
CID 104847878
3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile
CID 81283820
3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile
CID 62684861
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
3,5-difluoro-4-(2-methylanilino)benzonitrile
CID 81283901
3-[[6-(5-chloro-2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878241
5-chloro-N-(2-chlorophenyl)-2-methoxyaniline
CID 82536966
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
CID 54860696
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile?
The IUPAC name of 4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile (CID 81283320) is 4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile?
The canonical SMILES for 4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile is COc1ccc(Cl)cc1Nc1c(F)cc(C#N)cc1F.
What is the InChIKey of 4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile?
The InChIKey is LXWBJSLNTVOFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O/c1-20-13-3-2-9(15)6-12(13)19-14-10(16)4-8(7-18)5-11(14)17/h2-6,19H,1H3.
What are the key properties of 4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile?
4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile has a molecular weight of 294.69 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile is sourced from PubChem (CID 81283320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).