2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide

C16H15NO4 — CID 174287412

IUPAC2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide
SMILESCOc1ccc(-c2ccc(OC)cc2C(N)=O)c(C=O)c1
InChIInChI=1S/C16H15NO4/c1-20-11-3-5-13(10(7-11)9-18)14-6-4-12(21-2)8-15(14)16(17)19/h3-9H,1-2H3,(H2,17,19)
InChIKeyLBZJJNPCEBUGDS-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.28
Rot. Bonds5

About 2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide

2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide (PubChem CID 174287412) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide
PubChem CID174287412
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide
SMILESCOc1ccc(-c2ccc(OC)cc2C(N)=O)c(C=O)c1
InChIInChI=1S/C16H15NO4/c1-20-11-3-5-13(10(7-11)9-18)14-6-4-12(21-2)8-15(14)16(17)19/h3-9H,1-2H3,(H2,17,19)
InChIKeyLBZJJNPCEBUGDS-UHFFFAOYSA-N
XLogP2.28
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetylphenyl)-5-methoxybenzaldehyde
CID 42645450
5-methoxy-2-(3-oxoprop-1-enyl)benzamide
CID 169459619
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
3-(2-formyl-4-methoxyphenyl)prop-2-enamide
CID 169481996
2-amino-5-methoxybenzamide;ethane
CID 142071126
2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid
CID 117297040
2-(1H-indol-4-yl)-5-methoxybenzamide
CID 67929816
methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate
CID 175954957
2-(2,2-dimethylpropanoyl)-4-methoxybenzaldehyde
CID 173118592
2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde
CID 172649146
5-methoxy-2-(methylamino)benzamide
CID 66991664
2-(2-acetylphenyl)-4-methoxybenzaldehyde
CID 42645678

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide?
The IUPAC name of 2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide (CID 174287412) is 2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide.
What is the SMILES notation for 2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide?
The canonical SMILES for 2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide is COc1ccc(-c2ccc(OC)cc2C(N)=O)c(C=O)c1.
What is the InChIKey of 2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide?
The InChIKey is LBZJJNPCEBUGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-11-3-5-13(10(7-11)9-18)14-6-4-12(21-2)8-15(14)16(17)19/h3-9H,1-2H3,(H2,17,19).
What are the key properties of 2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide?
2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide is sourced from PubChem (CID 174287412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).