2-amino-4-formyl-5-methoxybenzamide

C9H10N2O3 — CID 58768479

IUPAC2-amino-4-formyl-5-methoxybenzamide
SMILESCOc1cc(C(N)=O)c(N)cc1C=O
InChIInChI=1S/C9H10N2O3/c1-14-8-3-6(9(11)13)7(10)2-5(8)4-12/h2-4H,10H2,1H3,(H2,11,13)
InChIKeyOZLLOOSSAOZKCW-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.19
Rot. Bonds3

About 2-amino-4-formyl-5-methoxybenzamide

2-amino-4-formyl-5-methoxybenzamide (PubChem CID 58768479) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-amino-4-formyl-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-4-formyl-5-methoxybenzamide
PubChem CID58768479
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-amino-4-formyl-5-methoxybenzamide
SMILESCOc1cc(C(N)=O)c(N)cc1C=O
InChIInChI=1S/C9H10N2O3/c1-14-8-3-6(9(11)13)7(10)2-5(8)4-12/h2-4H,10H2,1H3,(H2,11,13)
InChIKeyOZLLOOSSAOZKCW-UHFFFAOYSA-N
XLogP0.19
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-formyl-5-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-formyl-2-iodo-4-methoxybenzamide
CID 171015652
2-cyano-5-formyl-4-methoxybenzamide
CID 171012907
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
3-formyl-4-methoxybenzamide
CID 23141386
2-amino-4-methoxy-5-nitrobenzamide
CID 131344074
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
4-(2-chloroacetyl)-2-methoxy-5-methylbenzaldehyde
CID 171022321
5-amino-2-(dimethylamino)-4-formylbenzamide
CID 174597288
5-acetyl-4-fluoro-2-methoxybenzaldehyde
CID 171009098
5-formyl-3-methoxy-2-nitrobenzamide
CID 171023186

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-formyl-5-methoxybenzamide?
The IUPAC name of 2-amino-4-formyl-5-methoxybenzamide (CID 58768479) is 2-amino-4-formyl-5-methoxybenzamide.
What is the SMILES notation for 2-amino-4-formyl-5-methoxybenzamide?
The canonical SMILES for 2-amino-4-formyl-5-methoxybenzamide is COc1cc(C(N)=O)c(N)cc1C=O.
What is the InChIKey of 2-amino-4-formyl-5-methoxybenzamide?
The InChIKey is OZLLOOSSAOZKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-8-3-6(9(11)13)7(10)2-5(8)4-12/h2-4H,10H2,1H3,(H2,11,13).
What are the key properties of 2-amino-4-formyl-5-methoxybenzamide?
2-amino-4-formyl-5-methoxybenzamide has a molecular weight of 194.19 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-formyl-5-methoxybenzamide is sourced from PubChem (CID 58768479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).