2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile

C14H10ClFN2 — CID 107927006

IUPAC2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile
SMILESCc1ccc(Nc2ccc(F)cc2Cl)c(C#N)c1
InChIInChI=1S/C14H10ClFN2/c1-9-2-4-13(10(6-9)8-17)18-14-5-3-11(16)7-12(14)15/h2-7,18H,1H3
InChIKeyRMHNZWSXDKSKTR-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.40
Rot. Bonds2

About 2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile

2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile (PubChem CID 107927006) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile
PubChem CID107927006
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile
SMILESCc1ccc(Nc2ccc(F)cc2Cl)c(C#N)c1
InChIInChI=1S/C14H10ClFN2/c1-9-2-4-13(10(6-9)8-17)18-14-5-3-11(16)7-12(14)15/h2-7,18H,1H3
InChIKeyRMHNZWSXDKSKTR-UHFFFAOYSA-N
XLogP4.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichloroanilino)-5-fluorobenzonitrile
CID 63668512
2-(2-amino-4-methylanilino)-5-fluorobenzonitrile
CID 82013404
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
5-methyl-2-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 107927707
2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
CID 114016776
2-(3,5-dimethylanilino)-5-methylbenzonitrile
CID 107926938
2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042
2-(4-amino-2-methylanilino)-5-fluorobenzonitrile
CID 82014840
3-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 63512256
2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile
CID 107926886
2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile
CID 63510593
2-(4-ethylanilino)-5-methylbenzonitrile
CID 114016768

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile?
The IUPAC name of 2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile (CID 107927006) is 2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile.
What is the SMILES notation for 2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile?
The canonical SMILES for 2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile is Cc1ccc(Nc2ccc(F)cc2Cl)c(C#N)c1.
What is the InChIKey of 2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile?
The InChIKey is RMHNZWSXDKSKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c1-9-2-4-13(10(6-9)8-17)18-14-5-3-11(16)7-12(14)15/h2-7,18H,1H3.
What are the key properties of 2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile?
2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile has a molecular weight of 260.70 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile is sourced from PubChem (CID 107927006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).