N,2,4-trimethyl-3-nitrobenzamide

C10H12N2O3 — CID 168944532

IUPACN,2,4-trimethyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C10H12N2O3/c1-6-4-5-8(10(13)11-3)7(2)9(6)12(14)15/h4-5H,1-3H3,(H,11,13)
InChIKeyFHOGKAIWAINMGB-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.57
Rot. Bonds2

About N,2,4-trimethyl-3-nitrobenzamide

N,2,4-trimethyl-3-nitrobenzamide (PubChem CID 168944532) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N,2,4-trimethyl-3-nitrobenzamide.

Molecular Properties

Compound NameN,2,4-trimethyl-3-nitrobenzamide
PubChem CID168944532
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN,2,4-trimethyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C10H12N2O3/c1-6-4-5-8(10(13)11-3)7(2)9(6)12(14)15/h4-5H,1-3H3,(H,11,13)
InChIKeyFHOGKAIWAINMGB-UHFFFAOYSA-N
XLogP1.57
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.57
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

1,3-dimethyl-2-nitro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 66719871
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
1-(2-hydroxy-4-methyl-3-nitrophenyl)ethanone
CID 89409027
1-(2-bromo-4-methyl-3-nitrophenyl)ethanone
CID 131168853
methyl 2-fluoro-4-methyl-3-nitrobenzoate
CID 131875204
1-chloro-2,4-dimethyl-3-nitrobenzene
CID 20508440
[2-(methylcarbamoyl)-5-nitrophenyl]carbamic acid
CID 170316212
ethane;N,2,3-trimethylbenzamide
CID 178108869
methyl 4-hydroxy-2-methyl-3-nitrobenzoate
CID 141461433
4-methoxycarbonyl-2-methyl-3-nitrobenzoic acid
CID 67856301
3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
CID 46520515
2-chloro-1-(2-iodo-4-methyl-3-nitrophenyl)ethanone
CID 171017263

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-3-nitrobenzamide?
The IUPAC name of N,2,4-trimethyl-3-nitrobenzamide (CID 168944532) is N,2,4-trimethyl-3-nitrobenzamide.
What is the SMILES notation for N,2,4-trimethyl-3-nitrobenzamide?
The canonical SMILES for N,2,4-trimethyl-3-nitrobenzamide is CNC(=O)c1ccc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of N,2,4-trimethyl-3-nitrobenzamide?
The InChIKey is FHOGKAIWAINMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-4-5-8(10(13)11-3)7(2)9(6)12(14)15/h4-5H,1-3H3,(H,11,13).
What are the key properties of N,2,4-trimethyl-3-nitrobenzamide?
N,2,4-trimethyl-3-nitrobenzamide has a molecular weight of 208.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-3-nitrobenzamide is sourced from PubChem (CID 168944532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).