4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide

C10H11N3O4 — CID 63282677

IUPAC4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide
SMILESNC(=O)c1ccc(N2CC(O)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O4/c11-10(15)6-1-2-8(9(3-6)13(16)17)12-4-7(14)5-12/h1-3,7,14H,4-5H2,(H2,11,15)
InChIKeyLEMGTEXGUUUPHK-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.13
Rot. Bonds3

About 4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide

4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide (PubChem CID 63282677) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide
PubChem CID63282677
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide
SMILESNC(=O)c1ccc(N2CC(O)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O4/c11-10(15)6-1-2-8(9(3-6)13(16)17)12-4-7(14)5-12/h1-3,7,14H,4-5H2,(H2,11,15)
InChIKeyLEMGTEXGUUUPHK-UHFFFAOYSA-N
XLogP-0.13
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.13
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

4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide
CID 7831848
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 106669692
4-(4-formylpiperidin-1-yl)-3-nitrobenzamide
CID 62664330
4-[3-(methylamino)piperidin-1-yl]-3-nitrobenzamide
CID 62547613
1-(5-carbamoyl-2-nitrophenyl)azetidine-3-carboxylic acid
CID 82995943
4-(3-aminoazetidin-1-yl)-N,N-dimethyl-3-nitrobenzamide
CID 82992525
4-[4-(4-bromo-2-nitrophenyl)piperazin-1-yl]benzamide
CID 133307548
3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide
CID 9311043
4-(4-benzhydrylpiperazin-1-yl)-3-nitrobenzamide
CID 5212328
3-(3-hydroxyazetidin-1-yl)-N-methyl-4-nitrobenzamide
CID 82988879
4-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-nitrobenzamide
CID 24587962
4-[(3aR,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-3-nitrobenzamide
CID 124856062

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide?
The IUPAC name of 4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide (CID 63282677) is 4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide?
The canonical SMILES for 4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide is NC(=O)c1ccc(N2CC(O)C2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide?
The InChIKey is LEMGTEXGUUUPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c11-10(15)6-1-2-8(9(3-6)13(16)17)12-4-7(14)5-12/h1-3,7,14H,4-5H2,(H2,11,15).
What are the key properties of 4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide?
4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide has a molecular weight of 237.22 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyazetidin-1-yl)-3-nitrobenzamide is sourced from PubChem (CID 63282677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).