2-(2,4-dinitrophenyl)-N,N-dimethylacetamide

C10H11N3O5 — CID 4632090

IUPAC2-(2,4-dinitrophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O5/c1-11(2)10(14)5-7-3-4-8(12(15)16)6-9(7)13(17)18/h3-4,6H,5H2,1-2H3
InChIKeyJCTYYCGNMNWVSW-UHFFFAOYSA-N
MW253.21 g/mol
LogP1.13
Rot. Bonds4

About 2-(2,4-dinitrophenyl)-N,N-dimethylacetamide

2-(2,4-dinitrophenyl)-N,N-dimethylacetamide (PubChem CID 4632090) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)-N,N-dimethylacetamide
PubChem CID4632090
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name2-(2,4-dinitrophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O5/c1-11(2)10(14)5-7-3-4-8(12(15)16)6-9(7)13(17)18/h3-4,6H,5H2,1-2H3
InChIKeyJCTYYCGNMNWVSW-UHFFFAOYSA-N
XLogP1.13
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,4-dinitrophenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2,4-dinitrophenyl)-N,N-dimethylacetamide (CID 4632090) is 2-(2,4-dinitrophenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2,4-dinitrophenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2,4-dinitrophenyl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dinitrophenyl)-N,N-dimethylacetamide?
The InChIKey is JCTYYCGNMNWVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c1-11(2)10(14)5-7-3-4-8(12(15)16)6-9(7)13(17)18/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-(2,4-dinitrophenyl)-N,N-dimethylacetamide?
2-(2,4-dinitrophenyl)-N,N-dimethylacetamide has a molecular weight of 253.21 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 4632090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).