N',N'-bis(2,4-dinitrophenyl)oxamide

C14H8N6O10 — CID 53437177

IUPACN',N'-bis(2,4-dinitrophenyl)oxamide
SMILESNC(=O)C(=O)N(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H8N6O10/c15-13(21)14(22)16(9-3-1-7(17(23)24)5-11(9)19(27)28)10-4-2-8(18(25)26)6-12(10)20(29)30/h1-6H,(H2,15,21)
InChIKeyBEKRDXMHLLFUJX-UHFFFAOYSA-N
MW420.25 g/mol
LogP1.47
Rot. Bonds6

About N',N'-bis(2,4-dinitrophenyl)oxamide

N',N'-bis(2,4-dinitrophenyl)oxamide (PubChem CID 53437177) has the molecular formula C14H8N6O10 and a molecular weight of 420.25 g/mol. Its IUPAC name is N',N'-bis(2,4-dinitrophenyl)oxamide.

Molecular Properties

Compound NameN',N'-bis(2,4-dinitrophenyl)oxamide
PubChem CID53437177
Molecular FormulaC14H8N6O10
Molecular Weight420.25 g/mol
Exact Mass420.03
IUPAC NameN',N'-bis(2,4-dinitrophenyl)oxamide
SMILESNC(=O)C(=O)N(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H8N6O10/c15-13(21)14(22)16(9-3-1-7(17(23)24)5-11(9)19(27)28)10-4-2-8(18(25)26)6-12(10)20(29)30/h1-6H,(H2,15,21)
InChIKeyBEKRDXMHLLFUJX-UHFFFAOYSA-N
XLogP1.47
TPSA235.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

(2,4-dinitrophenyl)-methylcarbamic acid
CID 163792600
2-(N-methyl-2,4-dinitroanilino)acetate
CID 7099160
N-(2,4-dinitrophenyl)butanehydrazide
CID 132775513
2-amino-3-(2,4-dinitrophenyl)propanamide
CID 66222854
azane;2,4-dinitrophenol;hydrate
CID 174664401
2-(2,4-dinitro-N-propylanilino)ethanol
CID 61425574
2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid
CID 119091498
2,4-dinitroaniline;sulfuric acid
CID 174852217
(2,4-dinitrophenyl) 2-aminoacetate
CID 25182265
N,N-dibutyl-2,4-dinitroaniline
CID 15758071
2,4-dinitro-1-(trinitromethylsulfonyl)benzene
CID 71443667
1-(2,4-dinitrophenyl)propan-1-one
CID 606980

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2,4-dinitrophenyl)oxamide?
The IUPAC name of N',N'-bis(2,4-dinitrophenyl)oxamide (CID 53437177) is N',N'-bis(2,4-dinitrophenyl)oxamide.
What is the SMILES notation for N',N'-bis(2,4-dinitrophenyl)oxamide?
The canonical SMILES for N',N'-bis(2,4-dinitrophenyl)oxamide is NC(=O)C(=O)N(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N',N'-bis(2,4-dinitrophenyl)oxamide?
The InChIKey is BEKRDXMHLLFUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N6O10/c15-13(21)14(22)16(9-3-1-7(17(23)24)5-11(9)19(27)28)10-4-2-8(18(25)26)6-12(10)20(29)30/h1-6H,(H2,15,21).
What are the key properties of N',N'-bis(2,4-dinitrophenyl)oxamide?
N',N'-bis(2,4-dinitrophenyl)oxamide has a molecular weight of 420.25 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2,4-dinitrophenyl)oxamide is sourced from PubChem (CID 53437177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).