2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide

C15H17N3O3 — CID 61089728

IUPAC2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N)cc2N)c(OC)c1
InChIInChI=1S/C15H17N3O3/c1-20-10-4-6-13(14(8-10)21-2)18-15(19)11-5-3-9(16)7-12(11)17/h3-8H,16-17H2,1-2H3,(H,18,19)
InChIKeyGKHWXEWUXJCKPB-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.12
Rot. Bonds4

About 2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide

2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide (PubChem CID 61089728) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide
PubChem CID61089728
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N)cc2N)c(OC)c1
InChIInChI=1S/C15H17N3O3/c1-20-10-4-6-13(14(8-10)21-2)18-15(19)11-5-3-9(16)7-12(11)17/h3-8H,16-17H2,1-2H3,(H,18,19)
InChIKeyGKHWXEWUXJCKPB-UHFFFAOYSA-N
XLogP2.12
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.12
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

2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 62060818
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide
CID 16790725
5-amino-2-(2,4-dimethoxyanilino)benzamide
CID 61312108
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740
N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766220

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide?
The IUPAC name of 2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide (CID 61089728) is 2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(N)cc2N)c(OC)c1.
What is the InChIKey of 2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide?
The InChIKey is GKHWXEWUXJCKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-10-4-6-13(14(8-10)21-2)18-15(19)11-5-3-9(16)7-12(11)17/h3-8H,16-17H2,1-2H3,(H,18,19).
What are the key properties of 2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide?
2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide has a molecular weight of 287.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 61089728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).