3-amino-2-(3,5-dimethoxyanilino)benzamide

C15H17N3O3 — CID 115933905

IUPAC3-amino-2-(3,5-dimethoxyanilino)benzamide
SMILESCOc1cc(Nc2c(N)cccc2C(N)=O)cc(OC)c1
InChIInChI=1S/C15H17N3O3/c1-20-10-6-9(7-11(8-10)21-2)18-14-12(15(17)19)4-3-5-13(14)16/h3-8,18H,16H2,1-2H3,(H2,17,19)
InChIKeyIBASKQJZDURSSC-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.13
Rot. Bonds5

About 3-amino-2-(3,5-dimethoxyanilino)benzamide

3-amino-2-(3,5-dimethoxyanilino)benzamide (PubChem CID 115933905) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-amino-2-(3,5-dimethoxyanilino)benzamide.

Molecular Properties

Compound Name3-amino-2-(3,5-dimethoxyanilino)benzamide
PubChem CID115933905
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-amino-2-(3,5-dimethoxyanilino)benzamide
SMILESCOc1cc(Nc2c(N)cccc2C(N)=O)cc(OC)c1
InChIInChI=1S/C15H17N3O3/c1-20-10-6-9(7-11(8-10)21-2)18-14-12(15(17)19)4-3-5-13(14)16/h3-8,18H,16H2,1-2H3,(H2,17,19)
InChIKeyIBASKQJZDURSSC-UHFFFAOYSA-N
XLogP2.13
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(3-ethoxyanilino)benzamide
CID 115934510
3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 43148696
methyl 3-amino-2-(4-methoxyanilino)benzoate
CID 115933795
3-amino-2-(3-fluoroanilino)benzamide
CID 112577784
3-amino-2-(4-methylsulfanylanilino)benzamide
CID 112577711
3-amino-2-(3-iodo-4-methylanilino)benzamide
CID 114257938
2-amino-5-(3-methoxyanilino)benzamide
CID 61307103
3-amino-2-(3-chloro-4-fluoroanilino)benzamide
CID 112577949
3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
CID 107645811
2-(3-amino-5-methoxyphenoxy)benzamide
CID 80747937
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid
CID 115935321

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-dimethoxyanilino)benzamide?
The IUPAC name of 3-amino-2-(3,5-dimethoxyanilino)benzamide (CID 115933905) is 3-amino-2-(3,5-dimethoxyanilino)benzamide.
What is the SMILES notation for 3-amino-2-(3,5-dimethoxyanilino)benzamide?
The canonical SMILES for 3-amino-2-(3,5-dimethoxyanilino)benzamide is COc1cc(Nc2c(N)cccc2C(N)=O)cc(OC)c1.
What is the InChIKey of 3-amino-2-(3,5-dimethoxyanilino)benzamide?
The InChIKey is IBASKQJZDURSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-10-6-9(7-11(8-10)21-2)18-14-12(15(17)19)4-3-5-13(14)16/h3-8,18H,16H2,1-2H3,(H2,17,19).
What are the key properties of 3-amino-2-(3,5-dimethoxyanilino)benzamide?
3-amino-2-(3,5-dimethoxyanilino)benzamide has a molecular weight of 287.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,5-dimethoxyanilino)benzamide is sourced from PubChem (CID 115933905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).