3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide

C17H17NO2 — CID 142955446

IUPAC3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1cccc(C=O)c1C
InChIInChI=1S/C17H17NO2/c1-12-6-3-4-7-14(12)10-18-17(20)16-9-5-8-15(11-19)13(16)2/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyWDSZKFODFWNCQI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.05
Rot. Bonds4

About 3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide

3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 142955446) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide
PubChem CID142955446
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1cccc(C=O)c1C
InChIInChI=1S/C17H17NO2/c1-12-6-3-4-7-14(12)10-18-17(20)16-9-5-8-15(11-19)13(16)2/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyWDSZKFODFWNCQI-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
2-benzamido-N-[(2-methylphenyl)methyl]benzamide
CID 9488926
2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 110909044
N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide
CID 109399422
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
5-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 27839113
2-methyl-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide
CID 110695685
N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide
CID 62179332
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262

Frequently Asked Questions

What is the IUPAC name of 3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide (CID 142955446) is 3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide is Cc1ccccc1CNC(=O)c1cccc(C=O)c1C.
What is the InChIKey of 3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is WDSZKFODFWNCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-6-3-4-7-14(12)10-18-17(20)16-9-5-8-15(11-19)13(16)2/h3-9,11H,10H2,1-2H3,(H,18,20).
What are the key properties of 3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide?
3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 267.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 142955446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).