N,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide

C10H11N5O4 — CID 43395306

IUPACN,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide
SMILESCN(C)C(=O)CNc1ccc([N+](=O)[O-])c2nonc12
InChIInChI=1S/C10H11N5O4/c1-14(2)8(16)5-11-6-3-4-7(15(17)18)10-9(6)12-19-13-10/h3-4,11H,5H2,1-2H3
InChIKeyLWWIZZXPYAISKW-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.63
Rot. Bonds4

About N,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide

N,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide (PubChem CID 43395306) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide
PubChem CID43395306
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC NameN,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide
SMILESCN(C)C(=O)CNc1ccc([N+](=O)[O-])c2nonc12
InChIInChI=1S/C10H11N5O4/c1-14(2)8(16)5-11-6-3-4-7(15(17)18)10-9(6)12-19-13-10/h3-4,11H,5H2,1-2H3
InChIKeyLWWIZZXPYAISKW-UHFFFAOYSA-N
XLogP0.63
TPSA114.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

N,N-diethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide
CID 115593556
1-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propan-2-one
CID 89125533
N-ethyl-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 13452090
N,N,2,2-tetramethyl-N'-(4-nitro-2,1,3-benzoxadiazol-7-yl)propane-1,3-diamine
CID 43395086
3-[[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]methyl]pentan-3-ol
CID 62060706
N-(2-methoxyethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 43395012
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 104705424
4-nitro-N-(2,2,2-trifluoroethyl)-2,1,3-benzoxadiazol-7-amine
CID 43517302
N-(2-ethoxyethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 43591237
N-(2-methylsulfinylethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 115631520
2-chloro-N-(4-nitro-2,1,3-benzoxadiazol-7-yl)acetamide
CID 177471219
3-methyl-3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]butan-1-ol
CID 115681085

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide (CID 43395306) is N,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide is CN(C)C(=O)CNc1ccc([N+](=O)[O-])c2nonc12.
What is the InChIKey of N,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide?
The InChIKey is LWWIZZXPYAISKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-14(2)8(16)5-11-6-3-4-7(15(17)18)10-9(6)12-19-13-10/h3-4,11H,5H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide?
N,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide has a molecular weight of 265.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide is sourced from PubChem (CID 43395306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).