3-chloro-4-(3-cyano-N-methylanilino)benzonitrile

C15H10ClN3 — CID 63094271

IUPAC3-chloro-4-(3-cyano-N-methylanilino)benzonitrile
SMILESCN(c1cccc(C#N)c1)c1ccc(C#N)cc1Cl
InChIInChI=1S/C15H10ClN3/c1-19(13-4-2-3-11(7-13)9-17)15-6-5-12(10-18)8-14(15)16/h2-8H,1H3
InChIKeyYOFOUZGDVKNSEI-UHFFFAOYSA-N
MW267.72 g/mol
LogP3.85
Rot. Bonds2

About 3-chloro-4-(3-cyano-N-methylanilino)benzonitrile

3-chloro-4-(3-cyano-N-methylanilino)benzonitrile (PubChem CID 63094271) has the molecular formula C15H10ClN3 and a molecular weight of 267.72 g/mol. Its IUPAC name is 3-chloro-4-(3-cyano-N-methylanilino)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(3-cyano-N-methylanilino)benzonitrile
PubChem CID63094271
Molecular FormulaC15H10ClN3
Molecular Weight267.72 g/mol
Exact Mass267.06
IUPAC Name3-chloro-4-(3-cyano-N-methylanilino)benzonitrile
SMILESCN(c1cccc(C#N)c1)c1ccc(C#N)cc1Cl
InChIInChI=1S/C15H10ClN3/c1-19(13-4-2-3-11(7-13)9-17)15-6-5-12(10-18)8-14(15)16/h2-8H,1H3
InChIKeyYOFOUZGDVKNSEI-UHFFFAOYSA-N
XLogP3.85
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(4-cyano-N-methylanilino)benzonitrile
CID 63094109
3-[4-(bromomethyl)-2-chloro-N-methylanilino]benzonitrile
CID 107083043
3-[3-chloro-2-(chloromethyl)-N-methylanilino]benzonitrile
CID 63567830
5-bromo-2-(3-cyano-N-methylanilino)benzonitrile
CID 114890310
2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile
CID 63673765
3-[2-(chloromethyl)-N-methylanilino]benzonitrile
CID 62981874
3-[methyl(naphthalen-1-yl)amino]benzonitrile
CID 70645311
3-chloro-4-(N,2,4-trimethylanilino)benzonitrile
CID 63511821
2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile
CID 79513741
3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile
CID 63510151
2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
CID 83076502
3-(4-fluoro-N-methylanilino)benzonitrile
CID 102816079

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-cyano-N-methylanilino)benzonitrile?
The IUPAC name of 3-chloro-4-(3-cyano-N-methylanilino)benzonitrile (CID 63094271) is 3-chloro-4-(3-cyano-N-methylanilino)benzonitrile.
What is the SMILES notation for 3-chloro-4-(3-cyano-N-methylanilino)benzonitrile?
The canonical SMILES for 3-chloro-4-(3-cyano-N-methylanilino)benzonitrile is CN(c1cccc(C#N)c1)c1ccc(C#N)cc1Cl.
What is the InChIKey of 3-chloro-4-(3-cyano-N-methylanilino)benzonitrile?
The InChIKey is YOFOUZGDVKNSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3/c1-19(13-4-2-3-11(7-13)9-17)15-6-5-12(10-18)8-14(15)16/h2-8H,1H3.
What are the key properties of 3-chloro-4-(3-cyano-N-methylanilino)benzonitrile?
3-chloro-4-(3-cyano-N-methylanilino)benzonitrile has a molecular weight of 267.72 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-cyano-N-methylanilino)benzonitrile is sourced from PubChem (CID 63094271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).