4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile

C14H9ClF2N2 — CID 107933151

IUPAC4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile
SMILESCc1ccc(Nc2ccc(C#N)c(F)c2F)cc1Cl
InChIInChI=1S/C14H9ClF2N2/c1-8-2-4-10(6-11(8)15)19-12-5-3-9(7-18)13(16)14(12)17/h2-6,19H,1H3
InChIKeyIFCGSUXBNRZWMA-UHFFFAOYSA-N
MW278.69 g/mol
LogP4.54
Rot. Bonds2

About 4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile

4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile (PubChem CID 107933151) has the molecular formula C14H9ClF2N2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile
PubChem CID107933151
Molecular FormulaC14H9ClF2N2
Molecular Weight278.69 g/mol
Exact Mass278.04
IUPAC Name4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile
SMILESCc1ccc(Nc2ccc(C#N)c(F)c2F)cc1Cl
InChIInChI=1S/C14H9ClF2N2/c1-8-2-4-10(6-11(8)15)19-12-5-3-9(7-18)13(16)14(12)17/h2-6,19H,1H3
InChIKeyIFCGSUXBNRZWMA-UHFFFAOYSA-N
XLogP4.54
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-4-chloroanilino)-2,3-difluorobenzonitrile
CID 107933980
2-chloro-4-(5-fluoro-2-methylanilino)benzonitrile
CID 55194420
2,3-difluoro-4-(4-propan-2-ylanilino)benzonitrile
CID 107933203
4-(3-chloro-4-methylanilino)-3-methylbenzonitrile
CID 55195164
2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 55195753
2-chloro-4-(2,4-dimethylanilino)benzonitrile
CID 55194599
2,3-difluoro-4-(3-propan-2-ylanilino)benzonitrile
CID 107933319
2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile
CID 55196328
5-chloro-2-(3-fluoro-4-methylanilino)benzonitrile
CID 63512248
4-(4-bromoanilino)-2,3-difluorobenzonitrile
CID 107933239
2-(3-chloro-4-methylanilino)-3-methylbenzonitrile
CID 107106269
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile
CID 107933278

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile?
The IUPAC name of 4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile (CID 107933151) is 4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile.
What is the SMILES notation for 4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile?
The canonical SMILES for 4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile is Cc1ccc(Nc2ccc(C#N)c(F)c2F)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile?
The InChIKey is IFCGSUXBNRZWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2/c1-8-2-4-10(6-11(8)15)19-12-5-3-9(7-18)13(16)14(12)17/h2-6,19H,1H3.
What are the key properties of 4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile?
4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile has a molecular weight of 278.69 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile is sourced from PubChem (CID 107933151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).