2-amino-3-(3,4-dimethoxyanilino)benzamide

C15H17N3O3 — CID 115544343

IUPAC2-amino-3-(3,4-dimethoxyanilino)benzamide
SMILESCOc1ccc(Nc2cccc(C(N)=O)c2N)cc1OC
InChIInChI=1S/C15H17N3O3/c1-20-12-7-6-9(8-13(12)21-2)18-11-5-3-4-10(14(11)16)15(17)19/h3-8,18H,16H2,1-2H3,(H2,17,19)
InChIKeyGDSUSBYBACIEAK-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.13
Rot. Bonds5

About 2-amino-3-(3,4-dimethoxyanilino)benzamide

2-amino-3-(3,4-dimethoxyanilino)benzamide (PubChem CID 115544343) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-amino-3-(3,4-dimethoxyanilino)benzamide.

Molecular Properties

Compound Name2-amino-3-(3,4-dimethoxyanilino)benzamide
PubChem CID115544343
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-amino-3-(3,4-dimethoxyanilino)benzamide
SMILESCOc1ccc(Nc2cccc(C(N)=O)c2N)cc1OC
InChIInChI=1S/C15H17N3O3/c1-20-12-7-6-9(8-13(12)21-2)18-11-5-3-4-10(14(11)16)15(17)19/h3-8,18H,16H2,1-2H3,(H2,17,19)
InChIKeyGDSUSBYBACIEAK-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

1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 60783176
2-amino-3-(3-chloroanilino)benzamide
CID 113332446
2-amino-3-(4-chloroanilino)benzamide
CID 113332450
2-amino-3-[4-(dimethylamino)anilino]benzamide
CID 115544938
2-amino-3-(4-ethylanilino)benzamide
CID 113332480
3-amino-4-(3,4-dimethoxyanilino)benzamide
CID 43448410
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
methyl 2-amino-3-(4-methoxyanilino)benzoate
CID 115544118
2-(3,4-dimethoxyanilino)-6-fluorobenzenecarbothioamide
CID 79516459
2-(4-bromo-3-methoxyanilino)benzenecarbothioamide
CID 82867903
2-amino-3-(3-carbamoylanilino)benzoic acid
CID 107809791
2-amino-3-(2-methylanilino)benzamide
CID 113332516

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dimethoxyanilino)benzamide?
The IUPAC name of 2-amino-3-(3,4-dimethoxyanilino)benzamide (CID 115544343) is 2-amino-3-(3,4-dimethoxyanilino)benzamide.
What is the SMILES notation for 2-amino-3-(3,4-dimethoxyanilino)benzamide?
The canonical SMILES for 2-amino-3-(3,4-dimethoxyanilino)benzamide is COc1ccc(Nc2cccc(C(N)=O)c2N)cc1OC.
What is the InChIKey of 2-amino-3-(3,4-dimethoxyanilino)benzamide?
The InChIKey is GDSUSBYBACIEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-12-7-6-9(8-13(12)21-2)18-11-5-3-4-10(14(11)16)15(17)19/h3-8,18H,16H2,1-2H3,(H2,17,19).
What are the key properties of 2-amino-3-(3,4-dimethoxyanilino)benzamide?
2-amino-3-(3,4-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 2-amino-3-(3,4-dimethoxyanilino)benzamide is sourced from PubChem (CID 115544343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).