2-nitro-N-propan-2-ylbenzamide

C10H12N2O3 — CID 738244

IUPAC2-nitro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O3/c1-7(2)11-10(13)8-5-3-4-6-9(8)12(14)15/h3-7H,1-2H3,(H,11,13)
InChIKeyZJMWYEHEWWSKQV-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.73
Rot. Bonds3

About 2-nitro-N-propan-2-ylbenzamide

2-nitro-N-propan-2-ylbenzamide (PubChem CID 738244) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-nitro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-nitro-N-propan-2-ylbenzamide
PubChem CID738244
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-nitro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O3/c1-7(2)11-10(13)8-5-3-4-6-9(8)12(14)15/h3-7H,1-2H3,(H,11,13)
InChIKeyZJMWYEHEWWSKQV-UHFFFAOYSA-N
XLogP1.73
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.73
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 2-nitro-N-propan-2-ylbenzamide?
The IUPAC name of 2-nitro-N-propan-2-ylbenzamide (CID 738244) is 2-nitro-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-nitro-N-propan-2-ylbenzamide?
The canonical SMILES for 2-nitro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-propan-2-ylbenzamide?
The InChIKey is ZJMWYEHEWWSKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(2)11-10(13)8-5-3-4-6-9(8)12(14)15/h3-7H,1-2H3,(H,11,13).
What are the key properties of 2-nitro-N-propan-2-ylbenzamide?
2-nitro-N-propan-2-ylbenzamide has a molecular weight of 208.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-propan-2-ylbenzamide is sourced from PubChem (CID 738244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).