5-amino-2-(2,4-dimethoxyanilino)benzamide

C15H17N3O3 — CID 61312108

IUPAC5-amino-2-(2,4-dimethoxyanilino)benzamide
SMILESCOc1ccc(Nc2ccc(N)cc2C(N)=O)c(OC)c1
InChIInChI=1S/C15H17N3O3/c1-20-10-4-6-13(14(8-10)21-2)18-12-5-3-9(16)7-11(12)15(17)19/h3-8,18H,16H2,1-2H3,(H2,17,19)
InChIKeyVXFHJESBLCYIBF-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.13
Rot. Bonds5

About 5-amino-2-(2,4-dimethoxyanilino)benzamide

5-amino-2-(2,4-dimethoxyanilino)benzamide (PubChem CID 61312108) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-amino-2-(2,4-dimethoxyanilino)benzamide.

Molecular Properties

Compound Name5-amino-2-(2,4-dimethoxyanilino)benzamide
PubChem CID61312108
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-amino-2-(2,4-dimethoxyanilino)benzamide
SMILESCOc1ccc(Nc2ccc(N)cc2C(N)=O)c(OC)c1
InChIInChI=1S/C15H17N3O3/c1-20-10-4-6-13(14(8-10)21-2)18-12-5-3-9(16)7-11(12)15(17)19/h3-8,18H,16H2,1-2H3,(H2,17,19)
InChIKeyVXFHJESBLCYIBF-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-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62588272
5-methoxy-2-(methylamino)benzamide
CID 66991664
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
methyl 5-amino-2-(4-methoxyanilino)benzoate
CID 21438625
2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide
CID 61089728
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
2-[(2,4-dimethoxyanilino)methyl]benzamide
CID 28570532
5-amino-2-(3,4-dimethylanilino)benzamide
CID 61307817
5-amino-2-(4-bromoanilino)benzamide
CID 55125298
2-amino-5-methoxybenzamide;ethane
CID 142071126
5-amino-2-(2-ethylanilino)benzamide
CID 61306914
3-(2,4-dimethoxyanilino)phthalic acid
CID 58307328

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,4-dimethoxyanilino)benzamide?
The IUPAC name of 5-amino-2-(2,4-dimethoxyanilino)benzamide (CID 61312108) is 5-amino-2-(2,4-dimethoxyanilino)benzamide.
What is the SMILES notation for 5-amino-2-(2,4-dimethoxyanilino)benzamide?
The canonical SMILES for 5-amino-2-(2,4-dimethoxyanilino)benzamide is COc1ccc(Nc2ccc(N)cc2C(N)=O)c(OC)c1.
What is the InChIKey of 5-amino-2-(2,4-dimethoxyanilino)benzamide?
The InChIKey is VXFHJESBLCYIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-10-4-6-13(14(8-10)21-2)18-12-5-3-9(16)7-11(12)15(17)19/h3-8,18H,16H2,1-2H3,(H2,17,19).
What are the key properties of 5-amino-2-(2,4-dimethoxyanilino)benzamide?
5-amino-2-(2,4-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 5-amino-2-(2,4-dimethoxyanilino)benzamide is sourced from PubChem (CID 61312108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).