4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide

C11H13N3O4 — CID 82999612

IUPAC4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(OC2CNC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O4/c1-12-11(15)7-2-3-10(9(4-7)14(16)17)18-8-5-13-6-8/h2-4,8,13H,5-6H2,1H3,(H,12,15)
InChIKeyWMVRXHNIAWSVET-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.31
Rot. Bonds4

About 4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide

4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide (PubChem CID 82999612) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide
PubChem CID82999612
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(OC2CNC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O4/c1-12-11(15)7-2-3-10(9(4-7)14(16)17)18-8-5-13-6-8/h2-4,8,13H,5-6H2,1H3,(H,12,15)
InChIKeyWMVRXHNIAWSVET-UHFFFAOYSA-N
XLogP0.31
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-(azetidin-3-yloxy)-N-ethyl-4-nitrobenzamide
CID 82988752
N-methyl-3-nitro-4-(pyrrolidin-3-ylmethoxy)benzamide
CID 82999537
4-[2-(aminomethyl)cyclopentyl]oxy-N-methyl-3-nitrobenzamide
CID 82993104
N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide
CID 59360027
4-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-nitrobenzamide
CID 43594209
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
methyl 4-(3,3-difluorocyclobutyl)oxy-3-nitrobenzoate
CID 67170971
4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide
CID 82993102
N-methyl-3-nitro-4-[(5-oxopyrrolidin-3-yl)amino]benzamide
CID 103952523
tert-butyl 3-[5-(methylcarbamoyl)-2-nitrophenoxy]azetidine-1-carboxylate
CID 178092530
N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide
CID 106995963
4-(2-amino-2-ethylbutoxy)-N-methyl-3-nitrobenzamide
CID 82993103

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide (CID 82999612) is 4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide is CNC(=O)c1ccc(OC2CNC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide?
The InChIKey is WMVRXHNIAWSVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-12-11(15)7-2-3-10(9(4-7)14(16)17)18-8-5-13-6-8/h2-4,8,13H,5-6H2,1H3,(H,12,15).
What are the key properties of 4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide?
4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide has a molecular weight of 251.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 82999612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).