5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide

C12H15N3O4 — CID 82743903

IUPAC5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1cc(N)ccc1[N+](=O)[O-])C1CCOC1
InChIInChI=1S/C12H15N3O4/c1-14(9-4-5-19-7-9)12(16)10-6-8(13)2-3-11(10)15(17)18/h2-3,6,9H,4-5,7,13H2,1H3
InChIKeyKGFIDSAGMWZWLZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.04
Rot. Bonds3

About 5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide

5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide (PubChem CID 82743903) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
PubChem CID82743903
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1cc(N)ccc1[N+](=O)[O-])C1CCOC1
InChIInChI=1S/C12H15N3O4/c1-14(9-4-5-19-7-9)12(16)10-6-8(13)2-3-11(10)15(17)18/h2-3,6,9H,4-5,7,13H2,1H3
InChIKeyKGFIDSAGMWZWLZ-UHFFFAOYSA-N
XLogP1.04
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

4,5-difluoro-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 78997229
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide
CID 99716959
5-chloro-N-methyl-2-nitro-N-(oxan-4-yl)benzamide
CID 43611011
3-amino-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62680681
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
5-amino-N-(cyclopropylmethyl)-N-ethyl-2-nitrobenzamide
CID 63939918
5-amino-N-ethyl-N-methyl-2-nitrobenzamide
CID 62154758
2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 79208597
2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide
CID 82734470
2-fluoro-N-methyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82744457

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide?
The IUPAC name of 5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide (CID 82743903) is 5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide is CN(C(=O)c1cc(N)ccc1[N+](=O)[O-])C1CCOC1.
What is the InChIKey of 5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide?
The InChIKey is KGFIDSAGMWZWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-14(9-4-5-19-7-9)12(16)10-6-8(13)2-3-11(10)15(17)18/h2-3,6,9H,4-5,7,13H2,1H3.
What are the key properties of 5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide?
5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide has a molecular weight of 265.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 82743903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).