2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide

C15H9ClN4O — CID 107786836

IUPAC2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1C#N
InChIInChI=1S/C15H9ClN4O/c16-11-2-4-14(19)13(6-11)15(21)20-12-3-1-9(7-17)10(5-12)8-18/h1-6H,19H2,(H,20,21)
InChIKeyZKQIQQFAFBMHFT-UHFFFAOYSA-N
MW296.72 g/mol
LogP2.92
Rot. Bonds2

About 2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide

2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide (PubChem CID 107786836) has the molecular formula C15H9ClN4O and a molecular weight of 296.72 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
PubChem CID107786836
Molecular FormulaC15H9ClN4O
Molecular Weight296.72 g/mol
Exact Mass296.05
IUPAC Name2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1C#N
InChIInChI=1S/C15H9ClN4O/c16-11-2-4-14(19)13(6-11)15(21)20-12-3-1-9(7-17)10(5-12)8-18/h1-6H,19H2,(H,20,21)
InChIKeyZKQIQQFAFBMHFT-UHFFFAOYSA-N
XLogP2.92
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862
5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
CID 107786844
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
2-amino-5-chloro-N-pyridin-4-ylbenzamide
CID 16770582
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide
CID 103990852
2-bromo-4-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 103763591
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533
4-chloro-N-(3-cyano-4-fluorophenyl)-2-hydroxybenzamide
CID 62316486

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide (CID 107786836) is 2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide is N#Cc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1C#N.
What is the InChIKey of 2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide?
The InChIKey is ZKQIQQFAFBMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O/c16-11-2-4-14(19)13(6-11)15(21)20-12-3-1-9(7-17)10(5-12)8-18/h1-6H,19H2,(H,20,21).
What are the key properties of 2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide?
2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide has a molecular weight of 296.72 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide is sourced from PubChem (CID 107786836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).