4-formyl-N-(2-methoxy-5-methylphenyl)benzamide

C16H15NO3 — CID 134025426

IUPAC4-formyl-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C16H15NO3/c1-11-3-8-15(20-2)14(9-11)17-16(19)13-6-4-12(10-18)5-7-13/h3-10H,1-2H3,(H,17,19)
InChIKeySXXLSRRVSVGXDL-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.07
Rot. Bonds4

About 4-formyl-N-(2-methoxy-5-methylphenyl)benzamide

4-formyl-N-(2-methoxy-5-methylphenyl)benzamide (PubChem CID 134025426) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-formyl-N-(2-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name4-formyl-N-(2-methoxy-5-methylphenyl)benzamide
PubChem CID134025426
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-formyl-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C16H15NO3/c1-11-3-8-15(20-2)14(9-11)17-16(19)13-6-4-12(10-18)5-7-13/h3-10H,1-2H3,(H,17,19)
InChIKeySXXLSRRVSVGXDL-UHFFFAOYSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.07
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

4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
1-N-(2-methoxyethyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109045188
4-(ethylamino)-N-(2-methoxy-5-methylphenyl)benzamide
CID 62171726
4-(diethylaminomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 46435285
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571
4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 82179481
methyl 2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4231793
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
N-(4-formylphenyl)-3,4-dimethoxybenzamide
CID 106912264
4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 82812467
1-N-(2,4-dimethylphenyl)-3-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 109057155

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-(2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of 4-formyl-N-(2-methoxy-5-methylphenyl)benzamide (CID 134025426) is 4-formyl-N-(2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for 4-formyl-N-(2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for 4-formyl-N-(2-methoxy-5-methylphenyl)benzamide is COc1ccc(C)cc1NC(=O)c1ccc(C=O)cc1.
What is the InChIKey of 4-formyl-N-(2-methoxy-5-methylphenyl)benzamide?
The InChIKey is SXXLSRRVSVGXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-3-8-15(20-2)14(9-11)17-16(19)13-6-4-12(10-18)5-7-13/h3-10H,1-2H3,(H,17,19).
What are the key properties of 4-formyl-N-(2-methoxy-5-methylphenyl)benzamide?
4-formyl-N-(2-methoxy-5-methylphenyl)benzamide has a molecular weight of 269.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-(2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 134025426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).