3-formyl-4-methoxybenzamide

C9H9NO3 — CID 23141386

IUPAC3-formyl-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C=O
InChIInChI=1S/C9H9NO3/c1-13-8-3-2-6(9(10)12)4-7(8)5-11/h2-5H,1H3,(H2,10,12)
InChIKeyJFGQZWKZOFTTFB-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.61
Rot. Bonds3

About 3-formyl-4-methoxybenzamide

3-formyl-4-methoxybenzamide (PubChem CID 23141386) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-formyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-formyl-4-methoxybenzamide
PubChem CID23141386
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name3-formyl-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C=O
InChIInChI=1S/C9H9NO3/c1-13-8-3-2-6(9(10)12)4-7(8)5-11/h2-5H,1H3,(H2,10,12)
InChIKeyJFGQZWKZOFTTFB-UHFFFAOYSA-N
XLogP0.61
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-formyl-4-(trifluoromethoxy)benzamide
CID 170998150
3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002282
3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide
CID 23141385
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
3-(3-formyl-4-methoxyphenyl)prop-2-enamide
CID 169481994
3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002301
4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide
CID 23141524
5-carbamoyl-2-methoxybenzenesulfinate
CID 91195005
2-amino-4-formyl-5-methoxybenzamide
CID 58768479
4-methoxy-3-pentoxybenzamide
CID 82041442
3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide
CID 59265123
5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
CID 71479368

Frequently Asked Questions

What is the IUPAC name of 3-formyl-4-methoxybenzamide?
The IUPAC name of 3-formyl-4-methoxybenzamide (CID 23141386) is 3-formyl-4-methoxybenzamide.
What is the SMILES notation for 3-formyl-4-methoxybenzamide?
The canonical SMILES for 3-formyl-4-methoxybenzamide is COc1ccc(C(N)=O)cc1C=O.
What is the InChIKey of 3-formyl-4-methoxybenzamide?
The InChIKey is JFGQZWKZOFTTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-13-8-3-2-6(9(10)12)4-7(8)5-11/h2-5H,1H3,(H2,10,12).
What are the key properties of 3-formyl-4-methoxybenzamide?
3-formyl-4-methoxybenzamide has a molecular weight of 179.17 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-4-methoxybenzamide is sourced from PubChem (CID 23141386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).