N-(2,3-dimethyl-4-nitrophenyl)acetamide

C10H12N2O3 — CID 2931975

IUPACN-(2,3-dimethyl-4-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])c(C)c1C
InChIInChI=1S/C10H12N2O3/c1-6-7(2)10(12(14)15)5-4-9(6)11-8(3)13/h4-5H,1-3H3,(H,11,13)
InChIKeyOLUQCHSXHDYOTM-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.17
Rot. Bonds2

About N-(2,3-dimethyl-4-nitrophenyl)acetamide

N-(2,3-dimethyl-4-nitrophenyl)acetamide (PubChem CID 2931975) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-(2,3-dimethyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-4-nitrophenyl)acetamide
PubChem CID2931975
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-(2,3-dimethyl-4-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])c(C)c1C
InChIInChI=1S/C10H12N2O3/c1-6-7(2)10(12(14)15)5-4-9(6)11-8(3)13/h4-5H,1-3H3,(H,11,13)
InChIKeyOLUQCHSXHDYOTM-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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

N-(2,3-dimethyl-4-nitrophenyl)benzamide
CID 156690206
N-(2,3-dimethyl-4-nitrophenyl)-4-fluorobenzamide
CID 2938533
N-(8-acetamido-4,5-dinitro-9,10-dioxoanthracen-1-yl)acetamide
CID 5485377
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103113652
(2-methyl-3-nitrophenyl)urea
CID 22416531
N-(3-hydroxy-2-methyl-4-nitrophenyl)-2-methyloxirane-2-carboxamide
CID 154431813
N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide
CID 10061609
N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 11325213
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
N-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
ethyl 4-acetamido-3-nitrobenzoate
CID 2826598

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-4-nitrophenyl)acetamide?
The IUPAC name of N-(2,3-dimethyl-4-nitrophenyl)acetamide (CID 2931975) is N-(2,3-dimethyl-4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2,3-dimethyl-4-nitrophenyl)acetamide?
The canonical SMILES for N-(2,3-dimethyl-4-nitrophenyl)acetamide is CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1C.
What is the InChIKey of N-(2,3-dimethyl-4-nitrophenyl)acetamide?
The InChIKey is OLUQCHSXHDYOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-7(2)10(12(14)15)5-4-9(6)11-8(3)13/h4-5H,1-3H3,(H,11,13).
What are the key properties of N-(2,3-dimethyl-4-nitrophenyl)acetamide?
N-(2,3-dimethyl-4-nitrophenyl)acetamide has a molecular weight of 208.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 2931975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).