N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide

C10H9Cl2N3O3 — CID 107192016

IUPACN-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide
SMILESO=C(NC1CNC1)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C10H9Cl2N3O3/c11-8-2-6(15(17)18)1-7(9(8)12)10(16)14-5-3-13-4-5/h1-2,5,13H,3-4H2,(H,14,16)
InChIKeyCCWNGKMHFVIKNV-UHFFFAOYSA-N
MW290.11 g/mol
LogP1.60
Rot. Bonds3

About N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide

N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide (PubChem CID 107192016) has the molecular formula C10H9Cl2N3O3 and a molecular weight of 290.11 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide
PubChem CID107192016
Molecular FormulaC10H9Cl2N3O3
Molecular Weight290.11 g/mol
Exact Mass289.00
IUPAC NameN-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide
SMILESO=C(NC1CNC1)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C10H9Cl2N3O3/c11-8-2-6(15(17)18)1-7(9(8)12)10(16)14-5-3-13-4-5/h1-2,5,13H,3-4H2,(H,14,16)
InChIKeyCCWNGKMHFVIKNV-UHFFFAOYSA-N
XLogP1.60
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2,3-dichloro-N-(1-methyl-2-oxopyrrolidin-3-yl)-5-nitrobenzamide
CID 106253666
2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide
CID 107192102
N-(3-aminopropyl)-2,3-dichloro-5-nitrobenzamide
CID 107188563
2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide
CID 107189307
2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide
CID 107200431
2,3-dichloro-5-nitro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 107188968
N-(azetidin-3-yl)-3-methyl-5-nitrobenzamide
CID 112701331
2,3-dichloro-N-hex-5-ynyl-5-nitrobenzamide
CID 106211244
2,3-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)-5-nitrobenzamide
CID 106140061
2,3-dichloro-N-[3-(ethylamino)-3-oxopropyl]-5-nitrobenzamide
CID 107189376
(2,3-dichloro-5-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107191715
4-[(2,3-dichloro-5-nitrobenzoyl)amino]-2-methylbutanoic acid
CID 107186494

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide?
The IUPAC name of N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide (CID 107192016) is N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide?
The canonical SMILES for N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide is O=C(NC1CNC1)c1cc([N+](=O)[O-])cc(Cl)c1Cl.
What is the InChIKey of N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide?
The InChIKey is CCWNGKMHFVIKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O3/c11-8-2-6(15(17)18)1-7(9(8)12)10(16)14-5-3-13-4-5/h1-2,5,13H,3-4H2,(H,14,16).
What are the key properties of N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide?
N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide has a molecular weight of 290.11 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide is sourced from PubChem (CID 107192016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).