5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide

C17H16N2O3 — CID 90104682

IUPAC5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(C=O)ccc2C)cc1
InChIInChI=1S/C17H16N2O3/c1-11-3-4-12(10-20)9-15(11)17(22)19-14-7-5-13(6-8-14)16(21)18-2/h3-10H,1-2H3,(H,18,21)(H,19,22)
InChIKeySLRBECASSKURBT-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.42
Rot. Bonds4

About 5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide

5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide (PubChem CID 90104682) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide
PubChem CID90104682
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(C=O)ccc2C)cc1
InChIInChI=1S/C17H16N2O3/c1-11-3-4-12(10-20)9-15(11)17(22)19-14-7-5-13(6-8-14)16(21)18-2/h3-10H,1-2H3,(H,18,21)(H,19,22)
InChIKeySLRBECASSKURBT-UHFFFAOYSA-N
XLogP2.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 18196740
4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 4793592
2-fluoro-5-formyl-N-methylbenzamide
CID 131591850
N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 9164572
N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 106912144
3-hydroxy-N-[4-(methylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 25469011
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
N-(3,5-diformylphenyl)-4-methylbenzamide
CID 163216310
acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)
CID 162014823
N-(3-formylphenyl)-4-methylbenzamide
CID 2339361

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide (CID 90104682) is 5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccc(NC(=O)c2cc(C=O)ccc2C)cc1.
What is the InChIKey of 5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is SLRBECASSKURBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-3-4-12(10-20)9-15(11)17(22)19-14-7-5-13(6-8-14)16(21)18-2/h3-10H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide?
5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 296.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 90104682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).