4-amino-N,N-dimethyl-3,5-dinitrobenzamide

C9H10N4O5 — CID 86098772

IUPAC4-amino-N,N-dimethyl-3,5-dinitrobenzamide
SMILESCN(C)C(=O)c1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N4O5/c1-11(2)9(14)5-3-6(12(15)16)8(10)7(4-5)13(17)18/h3-4H,10H2,1-2H3
InChIKeyRDIIGYMSYMEPTG-UHFFFAOYSA-N
MW254.20 g/mol
LogP0.79
Rot. Bonds3

About 4-amino-N,N-dimethyl-3,5-dinitrobenzamide

4-amino-N,N-dimethyl-3,5-dinitrobenzamide (PubChem CID 86098772) has the molecular formula C9H10N4O5 and a molecular weight of 254.20 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3,5-dinitrobenzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3,5-dinitrobenzamide
PubChem CID86098772
Molecular FormulaC9H10N4O5
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC Name4-amino-N,N-dimethyl-3,5-dinitrobenzamide
SMILESCN(C)C(=O)c1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N4O5/c1-11(2)9(14)5-3-6(12(15)16)8(10)7(4-5)13(17)18/h3-4H,10H2,1-2H3
InChIKeyRDIIGYMSYMEPTG-UHFFFAOYSA-N
XLogP0.79
TPSA132.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N,N-dimethyl-3,5-dinitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N,N-dimethyl-3-nitrobenzamide
CID 82993461
4-ethynyl-N,N-dimethyl-3-nitrobenzamide
CID 57331452
4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
CID 62338016
2-amino-N,N-dimethyl-3-nitrobenzamide
CID 58736106
4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 62154937
4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-nitrobenzamide
CID 79385580
3-hydroxy-N,N-dimethyl-5-nitrobenzamide
CID 124705788
4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide
CID 55041700
4-amino-3-chloro-N-methyl-5-nitro-N-(thiolan-3-yl)benzamide
CID 62156139
4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide
CID 82989700
4-(3-aminoazetidin-1-yl)-N,N-dimethyl-3-nitrobenzamide
CID 82992525
5-acetyl-2-amino-3-nitrobenzonitrile
CID 171013852

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3,5-dinitrobenzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3,5-dinitrobenzamide (CID 86098772) is 4-amino-N,N-dimethyl-3,5-dinitrobenzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3,5-dinitrobenzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3,5-dinitrobenzamide is CN(C)C(=O)c1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3,5-dinitrobenzamide?
The InChIKey is RDIIGYMSYMEPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O5/c1-11(2)9(14)5-3-6(12(15)16)8(10)7(4-5)13(17)18/h3-4H,10H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-3,5-dinitrobenzamide?
4-amino-N,N-dimethyl-3,5-dinitrobenzamide has a molecular weight of 254.20 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3,5-dinitrobenzamide is sourced from PubChem (CID 86098772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).