5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide

C15H16ClN3O — CID 107195569

IUPAC5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide
SMILESCc1cccc(N(C)c2c(Cl)cc(N)cc2C(N)=O)c1
InChIInChI=1S/C15H16ClN3O/c1-9-4-3-5-11(6-9)19(2)14-12(15(18)20)7-10(17)8-13(14)16/h3-8H,17H2,1-2H3,(H2,18,20)
InChIKeyXLAJGOXHTSPHJK-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.10
Rot. Bonds3

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

5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide (PubChem CID 107195569) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide
PubChem CID107195569
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide
SMILESCc1cccc(N(C)c2c(Cl)cc(N)cc2C(N)=O)c1
InChIInChI=1S/C15H16ClN3O/c1-9-4-3-5-11(6-9)19(2)14-12(15(18)20)7-10(17)8-13(14)16/h3-8H,17H2,1-2H3,(H2,18,20)
InChIKeyXLAJGOXHTSPHJK-UHFFFAOYSA-N
XLogP3.10
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.10
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

5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide
CID 107195557
methyl 5-amino-3-chloro-2-(N-methylanilino)benzoate
CID 107192500
5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide
CID 107194513
5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide
CID 107195645
5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 107194659
5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide
CID 107194342
1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone
CID 104612683
5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine
CID 103552989
2-chloro-5-(3-methylphenyl)benzamide
CID 151079507
2-chloro-4-N,5-dimethyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 113334304
(3-methylphenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 107199230
5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 107194374

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide (CID 107195569) is 5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide is Cc1cccc(N(C)c2c(Cl)cc(N)cc2C(N)=O)c1.
What is the InChIKey of 5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide?
The InChIKey is XLAJGOXHTSPHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-4-3-5-11(6-9)19(2)14-12(15(18)20)7-10(17)8-13(14)16/h3-8H,17H2,1-2H3,(H2,18,20).
What are the key properties of 5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide?
5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide has a molecular weight of 289.77 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide is sourced from PubChem (CID 107195569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).