N-(2,3-dimethyl-6-nitrophenyl)acetamide

C10H12N2O3 — CID 5066538

IUPACN-(2,3-dimethyl-6-nitrophenyl)acetamide
SMILESCC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C
InChIInChI=1S/C10H12N2O3/c1-6-4-5-9(12(14)15)10(7(6)2)11-8(3)13/h4-5H,1-3H3,(H,11,13)
InChIKeyCZLTXJVPEMCPLP-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.17
Rot. Bonds2

About N-(2,3-dimethyl-6-nitrophenyl)acetamide

N-(2,3-dimethyl-6-nitrophenyl)acetamide (PubChem CID 5066538) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-(2,3-dimethyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-6-nitrophenyl)acetamide
PubChem CID5066538
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-(2,3-dimethyl-6-nitrophenyl)acetamide
SMILESCC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C
InChIInChI=1S/C10H12N2O3/c1-6-4-5-9(12(14)15)10(7(6)2)11-8(3)13/h4-5H,1-3H3,(H,11,13)
InChIKeyCZLTXJVPEMCPLP-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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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)acetamide?
The IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)acetamide (CID 5066538) is N-(2,3-dimethyl-6-nitrophenyl)acetamide.
What is the SMILES notation for N-(2,3-dimethyl-6-nitrophenyl)acetamide?
The canonical SMILES for N-(2,3-dimethyl-6-nitrophenyl)acetamide is CC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C.
What is the InChIKey of N-(2,3-dimethyl-6-nitrophenyl)acetamide?
The InChIKey is CZLTXJVPEMCPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-4-5-9(12(14)15)10(7(6)2)11-8(3)13/h4-5H,1-3H3,(H,11,13).
What are the key properties of N-(2,3-dimethyl-6-nitrophenyl)acetamide?
N-(2,3-dimethyl-6-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-6-nitrophenyl)acetamide is sourced from PubChem (CID 5066538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).