4-formyl-N-[(3-methoxyphenyl)methyl]benzamide

C16H15NO3 — CID 155923762

IUPAC4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(C=O)cc2)c1
InChIInChI=1S/C16H15NO3/c1-20-15-4-2-3-13(9-15)10-17-16(19)14-7-5-12(11-18)6-8-14/h2-9,11H,10H2,1H3,(H,17,19)
InChIKeyBUXCRYYBSCLNTF-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.44
Rot. Bonds5

About 4-formyl-N-[(3-methoxyphenyl)methyl]benzamide

4-formyl-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 155923762) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-formyl-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID155923762
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(C=O)cc2)c1
InChIInChI=1S/C16H15NO3/c1-20-15-4-2-3-13(9-15)10-17-16(19)14-7-5-12(11-18)6-8-14/h2-9,11H,10H2,1H3,(H,17,19)
InChIKeyBUXCRYYBSCLNTF-UHFFFAOYSA-N
XLogP2.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.44
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-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
4-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 71690167
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-formyl-N-[(3-methoxyphenyl)methyl]benzamide (CID 155923762) is 4-formyl-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-formyl-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-formyl-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccc(C=O)cc2)c1.
What is the InChIKey of 4-formyl-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is BUXCRYYBSCLNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-15-4-2-3-13(9-15)10-17-16(19)14-7-5-12(11-18)6-8-14/h2-9,11H,10H2,1H3,(H,17,19).
What are the key properties of 4-formyl-N-[(3-methoxyphenyl)methyl]benzamide?
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 269.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 155923762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).