2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide

C15H12ClN3O — CID 64914385

IUPAC2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)ccc2C#N)c1N
InChIInChI=1S/C15H12ClN3O/c1-9-3-2-4-12(14(9)18)15(20)19-13-7-11(16)6-5-10(13)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyAIJCPJMSTHUYDY-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.35
Rot. Bonds2

About 2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide

2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide (PubChem CID 64914385) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide
PubChem CID64914385
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)ccc2C#N)c1N
InChIInChI=1S/C15H12ClN3O/c1-9-3-2-4-12(14(9)18)15(20)19-13-7-11(16)6-5-10(13)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyAIJCPJMSTHUYDY-UHFFFAOYSA-N
XLogP3.35
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3,4-dicyanophenyl)-3-methylbenzamide
CID 107786827
2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 106861258
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
N-(5-chloro-2-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
CID 60628705
2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725699
N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 60710472
4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 81226633
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
2-chloro-N-(5-chloro-2-cyanophenyl)-5-hydroxybenzamide
CID 106501019
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
2-chloro-N-(5-chloro-2-cyanophenyl)furan-3-carboxamide
CID 106684843

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide (CID 64914385) is 2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(Cl)ccc2C#N)c1N.
What is the InChIKey of 2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide?
The InChIKey is AIJCPJMSTHUYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-3-2-4-12(14(9)18)15(20)19-13-7-11(16)6-5-10(13)8-17/h2-7H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide?
2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide has a molecular weight of 285.73 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide is sourced from PubChem (CID 64914385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).