2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide

C11H14N4O5 — CID 2851365

IUPAC2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide
SMILESCN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(C)C
InChIInChI=1S/C11H14N4O5/c1-12(2)10-8(11(16)13(3)4)5-7(14(17)18)6-9(10)15(19)20/h5-6H,1-4H3
InChIKeyOJQCOSUJNGFNDL-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.27
Rot. Bonds4

About 2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide

2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide (PubChem CID 2851365) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide
PubChem CID2851365
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide
SMILESCN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(C)C
InChIInChI=1S/C11H14N4O5/c1-12(2)10-8(11(16)13(3)4)5-7(14(17)18)6-9(10)15(19)20/h5-6H,1-4H3
InChIKeyOJQCOSUJNGFNDL-UHFFFAOYSA-N
XLogP1.27
TPSA109.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Tretazicar
CID 89105
Benzamide, 2-amino-3,5-dinitro-
CID 198148
5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide
CID 126690
N,N-Dimethyl-2,4,6-trinitrobenzamide
CID 541760
5-(Bis(2-bromoethyl)amino)-2,4-dinitrobenzamide
CID 372564
5-(Bis(2-iodoethyl)amino)-2,4-dinitrobenzamide
CID 372565
4-Methyl-7-nitro-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
CID 616538
1-(3,5-Dinitrobenzoyl)-4-methylpiperazine
CID 2173476
2-[Cyclohexyl(methyl)amino]-5-nitrobenzamide
CID 2959484
3-(2,4-Dinitro-phenyl)-3H-quinazolin-4-one
CID 3089114
2-Amino-5-[bis(2-chloroethyl)amino]-4-nitrobenzamide
CID 10018961
1-Methyl-4-[4-nitro-2-(1-piperidinylcarbonyl)phenyl]piperazine
CID 2935079

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide?
The IUPAC name of 2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide (CID 2851365) is 2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide.
What is the SMILES notation for 2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide?
The canonical SMILES for 2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide is CN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(C)C.
What is the InChIKey of 2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide?
The InChIKey is OJQCOSUJNGFNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c1-12(2)10-8(11(16)13(3)4)5-7(14(17)18)6-9(10)15(19)20/h5-6H,1-4H3.
What are the key properties of 2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide?
2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide has a molecular weight of 282.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N,N-dimethyl-3,5-dinitrobenzamide is sourced from PubChem (CID 2851365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).