2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile

C15H10FN3 — CID 63673765

IUPAC2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile
SMILESCN(c1cccc(C#N)c1)c1ccc(F)cc1C#N
InChIInChI=1S/C15H10FN3/c1-19(14-4-2-3-11(7-14)9-17)15-6-5-13(16)8-12(15)10-18/h2-8H,1H3
InChIKeyHWCNXRYIKKPTMM-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.34
Rot. Bonds2

About 2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile

2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile (PubChem CID 63673765) has the molecular formula C15H10FN3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile
PubChem CID63673765
Molecular FormulaC15H10FN3
Molecular Weight251.26 g/mol
Exact Mass251.09
IUPAC Name2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile
SMILESCN(c1cccc(C#N)c1)c1ccc(F)cc1C#N
InChIInChI=1S/C15H10FN3/c1-19(14-4-2-3-11(7-14)9-17)15-6-5-13(16)8-12(15)10-18/h2-8H,1H3
InChIKeyHWCNXRYIKKPTMM-UHFFFAOYSA-N
XLogP3.34
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-N-methylanilino)-5-fluorobenzonitrile
CID 63673596
5-bromo-2-(3-cyano-N-methylanilino)benzonitrile
CID 114890310
3-(4-fluoro-N-methylanilino)benzonitrile
CID 102816079
2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile
CID 79513741
3-chloro-4-(3-cyano-N-methylanilino)benzonitrile
CID 63094271
3-[methyl(naphthalen-1-yl)amino]benzonitrile
CID 70645311
2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile
CID 63668009
3-[methyl(methylsulfanyl)amino]benzonitrile
CID 146320456
3-(4-ethyl-N-methylanilino)benzonitrile
CID 102816090
3-[2-(chloromethyl)-N-methylanilino]benzonitrile
CID 62981874
ethane;3-fluorobenzonitrile
CID 143604554
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile?
The IUPAC name of 2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile (CID 63673765) is 2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile?
The canonical SMILES for 2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile is CN(c1cccc(C#N)c1)c1ccc(F)cc1C#N.
What is the InChIKey of 2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile?
The InChIKey is HWCNXRYIKKPTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3/c1-19(14-4-2-3-11(7-14)9-17)15-6-5-13(16)8-12(15)10-18/h2-8H,1H3.
What are the key properties of 2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile?
2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile has a molecular weight of 251.26 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile is sourced from PubChem (CID 63673765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).