2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide

C17H18N2O3 — CID 100709194

IUPAC2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C
InChIInChI=1S/C17H18N2O3/c1-10-8-12(3)14(9-11(10)2)17(20)18-15-6-5-7-16(13(15)4)19(21)22/h5-9H,1-4H3,(H,18,20)
InChIKeyDEGMHAYGOQLDOI-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.08
Rot. Bonds3

About 2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide

2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 100709194) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID100709194
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C
InChIInChI=1S/C17H18N2O3/c1-10-8-12(3)14(9-11(10)2)17(20)18-15-6-5-7-16(13(15)4)19(21)22/h5-9H,1-4H3,(H,18,20)
InChIKeyDEGMHAYGOQLDOI-UHFFFAOYSA-N
XLogP4.08
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 9398210
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
2-chloro-N-(2-methyl-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4633766
5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 31121389
2-bromo-4-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 18197993
2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide
CID 43012309
3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 5186267
5-amino-2-bromo-N-(2-methyl-3-nitrophenyl)benzamide
CID 115297130
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide (CID 100709194) is 2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide is Cc1cc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is DEGMHAYGOQLDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-8-12(3)14(9-11(10)2)17(20)18-15-6-5-7-16(13(15)4)19(21)22/h5-9H,1-4H3,(H,18,20).
What are the key properties of 2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide?
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 298.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 100709194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).