4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile

C14H10ClFN2 — CID 43657055

IUPAC4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
SMILESCc1c(Cl)cccc1Nc1ccc(C#N)cc1F
InChIInChI=1S/C14H10ClFN2/c1-9-11(15)3-2-4-13(9)18-14-6-5-10(8-17)7-12(14)16/h2-7,18H,1H3
InChIKeyFKYAMOHXXHNVRU-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.40
Rot. Bonds2

About 4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile

4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile (PubChem CID 43657055) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
PubChem CID43657055
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
SMILESCc1c(Cl)cccc1Nc1ccc(C#N)cc1F
InChIInChI=1S/C14H10ClFN2/c1-9-11(15)3-2-4-13(9)18-14-6-5-10(8-17)7-12(14)16/h2-7,18H,1H3
InChIKeyFKYAMOHXXHNVRU-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

4-(3-chloro-2-methylanilino)benzonitrile
CID 29031552
5-chloro-2-(3-chloro-2-methylanilino)benzonitrile
CID 63516498
3-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 63512256
2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile
CID 104716975
4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile
CID 63511832
4-(2-chloro-5-iodoanilino)-3-fluorobenzonitrile
CID 114260128
2-bromo-4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 107533030
3-chloro-4-(2-chloro-3-methylanilino)benzonitrile
CID 114251227
3-fluoro-4-(3-fluoroanilino)benzonitrile
CID 43657175
4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile
CID 83015429
3-fluoro-4-(methylamino)benzonitrile
CID 21029569
3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile
CID 43657209

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile?
The IUPAC name of 4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile (CID 43657055) is 4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile?
The canonical SMILES for 4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile is Cc1c(Cl)cccc1Nc1ccc(C#N)cc1F.
What is the InChIKey of 4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile?
The InChIKey is FKYAMOHXXHNVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c1-9-11(15)3-2-4-13(9)18-14-6-5-10(8-17)7-12(14)16/h2-7,18H,1H3.
What are the key properties of 4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile?
4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile 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 4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile is sourced from PubChem (CID 43657055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).