2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile

C14H10ClFN2O — CID 55231919

IUPAC2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile
SMILESCOc1ccc(Nc2ccc(F)cc2C#N)cc1Cl
InChIInChI=1S/C14H10ClFN2O/c1-19-14-5-3-11(7-12(14)15)18-13-4-2-10(16)6-9(13)8-17/h2-7,18H,1H3
InChIKeyGMUNVUSLTYVERF-UHFFFAOYSA-N
MW276.70 g/mol
LogP4.10
Rot. Bonds3

About 2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile

2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile (PubChem CID 55231919) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile
PubChem CID55231919
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile
SMILESCOc1ccc(Nc2ccc(F)cc2C#N)cc1Cl
InChIInChI=1S/C14H10ClFN2O/c1-19-14-5-3-11(7-12(14)15)18-13-4-2-10(16)6-9(13)8-17/h2-7,18H,1H3
InChIKeyGMUNVUSLTYVERF-UHFFFAOYSA-N
XLogP4.10
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile
CID 81299476
2-(3-chloro-4-methoxyanilino)-4-methylbenzonitrile
CID 62302270
2-(3-chloro-4-methoxyanilino)-5-fluorobenzenecarbothioamide
CID 63674872
2-(3,4-difluoroanilino)-5-fluorobenzonitrile
CID 63668514
5-bromo-2-(3-fluoro-4-methoxyanilino)benzonitrile
CID 114890463
3-chloro-4-fluoro-N-(5-fluoro-2-methoxyphenyl)aniline
CID 82536190
2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile
CID 21004408
2-chloro-4-(5-fluoro-2-methylanilino)benzonitrile
CID 55194420
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile
CID 63669379
2-(2,4-dichloroanilino)-5-fluorobenzonitrile
CID 63668512
2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
CID 82016657

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile (CID 55231919) is 2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile is COc1ccc(Nc2ccc(F)cc2C#N)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile?
The InChIKey is GMUNVUSLTYVERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c1-19-14-5-3-11(7-12(14)15)18-13-4-2-10(16)6-9(13)8-17/h2-7,18H,1H3.
What are the key properties of 2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile?
2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile has a molecular weight of 276.70 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile is sourced from PubChem (CID 55231919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).