N-(3,4-dicyanophenyl)-2-(methylamino)benzamide

C16H12N4O — CID 107791441

IUPACN-(3,4-dicyanophenyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C16H12N4O/c1-19-15-5-3-2-4-14(15)16(21)20-13-7-6-11(9-17)12(8-13)10-18/h2-8,19H,1H3,(H,20,21)
InChIKeyRSKXJIUJFSYOHQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.72
Rot. Bonds3

About N-(3,4-dicyanophenyl)-2-(methylamino)benzamide

N-(3,4-dicyanophenyl)-2-(methylamino)benzamide (PubChem CID 107791441) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(3,4-dicyanophenyl)-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(3,4-dicyanophenyl)-2-(methylamino)benzamide
PubChem CID107791441
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC NameN-(3,4-dicyanophenyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C16H12N4O/c1-19-15-5-3-2-4-14(15)16(21)20-13-7-6-11(9-17)12(8-13)10-18/h2-8,19H,1H3,(H,20,21)
InChIKeyRSKXJIUJFSYOHQ-UHFFFAOYSA-N
XLogP2.72
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
2-amino-N-(3,4-dicyanophenyl)-3-methylbenzamide
CID 107786827
N-(3,4-dicyanophenyl)acetamide
CID 12938829
3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide
CID 103774874
3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide
CID 103990852
2-[(3-cyano-4-propan-2-yloxyphenyl)carbamoyl]benzoic acid
CID 85471400
N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide
CID 103944405
N-(4-tert-butylphenyl)-2-(methylamino)benzamide
CID 60706403
N-(3,4-dicyanophenyl)pyridazine-4-carboxamide
CID 103944391
N-(3,4-dicyanophenyl)-2-methyl-5-sulfanylbenzamide
CID 107794528
5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
CID 107786844
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dicyanophenyl)-2-(methylamino)benzamide?
The IUPAC name of N-(3,4-dicyanophenyl)-2-(methylamino)benzamide (CID 107791441) is N-(3,4-dicyanophenyl)-2-(methylamino)benzamide.
What is the SMILES notation for N-(3,4-dicyanophenyl)-2-(methylamino)benzamide?
The canonical SMILES for N-(3,4-dicyanophenyl)-2-(methylamino)benzamide is CNc1ccccc1C(=O)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of N-(3,4-dicyanophenyl)-2-(methylamino)benzamide?
The InChIKey is RSKXJIUJFSYOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-19-15-5-3-2-4-14(15)16(21)20-13-7-6-11(9-17)12(8-13)10-18/h2-8,19H,1H3,(H,20,21).
What are the key properties of N-(3,4-dicyanophenyl)-2-(methylamino)benzamide?
N-(3,4-dicyanophenyl)-2-(methylamino)benzamide has a molecular weight of 276.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dicyanophenyl)-2-(methylamino)benzamide is sourced from PubChem (CID 107791441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).