2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile

C14H10ClFN2 — CID 55195753

IUPAC2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
SMILESCc1ccc(Nc2ccc(C#N)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H10ClFN2/c1-9-2-5-14(13(16)6-9)18-11-4-3-10(8-17)12(15)7-11/h2-7,18H,1H3
InChIKeyBCEHYNMNPBVORH-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.40
Rot. Bonds2

About 2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile

2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile (PubChem CID 55195753) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
PubChem CID55195753
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
SMILESCc1ccc(Nc2ccc(C#N)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H10ClFN2/c1-9-2-5-14(13(16)6-9)18-11-4-3-10(8-17)12(15)7-11/h2-7,18H,1H3
InChIKeyBCEHYNMNPBVORH-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-chloro-4-(2,4-dimethylanilino)benzonitrile
CID 55194599
4-(3-chloro-4-cyanoanilino)-3-fluorobenzoic acid
CID 63188308
2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile
CID 55196328
2-chloro-4-(5-fluoro-2-methylanilino)benzonitrile
CID 55194420
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile
CID 107933151
4-(2,5-dimethylanilino)-2-fluorobenzonitrile
CID 115367051
3-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 63512256
2-(3-chloro-4-methoxyanilino)-4-methylbenzonitrile
CID 62302270
4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile
CID 63510934
2-bromo-4-(2-chloro-5-methylanilino)benzonitrile
CID 107635147
4-(3-bromo-5-methylanilino)-2-chlorobenzonitrile
CID 107583655

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile?
The IUPAC name of 2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile (CID 55195753) is 2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile.
What is the SMILES notation for 2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile?
The canonical SMILES for 2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile is Cc1ccc(Nc2ccc(C#N)c(Cl)c2)c(F)c1.
What is the InChIKey of 2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile?
The InChIKey is BCEHYNMNPBVORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c1-9-2-5-14(13(16)6-9)18-11-4-3-10(8-17)12(15)7-11/h2-7,18H,1H3.
What are the key properties of 2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile?
2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile 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-chloro-4-(2-fluoro-4-methylanilino)benzonitrile is sourced from PubChem (CID 55195753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).