N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide

C12H14ClN3O3 — CID 66184247

IUPACN-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide
SMILESCCN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CNC1
InChIInChI=1S/C12H14ClN3O3/c1-2-15(8-6-14-7-8)12(17)11-9(13)4-3-5-10(11)16(18)19/h3-5,8,14H,2,6-7H2,1H3
InChIKeyVKUXFTSVFPALBS-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.68
Rot. Bonds4

About N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide

N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide (PubChem CID 66184247) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide
PubChem CID66184247
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC NameN-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide
SMILESCCN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CNC1
InChIInChI=1S/C12H14ClN3O3/c1-2-15(8-6-14-7-8)12(17)11-9(13)4-3-5-10(11)16(18)19/h3-5,8,14H,2,6-7H2,1H3
InChIKeyVKUXFTSVFPALBS-UHFFFAOYSA-N
XLogP1.68
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.68
H-Bond Donors ≤ 51
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-chloro-N-(2-chloroethyl)-N-cyclopropyl-6-nitrobenzamide
CID 63658270
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
N-(azetidin-3-yl)-N-ethyl-5-methyl-2-nitrobenzamide
CID 66182534
1-(2-chloro-6-nitrophenyl)propan-1-one
CID 131073347
N-ethyl-2,6-difluoro-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 79759439
2-chloro-N-methyl-6-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607682
3-[(2-chloro-6-nitrobenzoyl)-methylamino]propanoic acid
CID 55260612
N-ethyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55203806
2-chloro-6-nitrobenzoic acid
CID 170923318
2-chloro-6-nitro-N-(piperidin-4-ylmethyl)benzamide
CID 63659497
N-ethyl-3-nitro-N-piperidin-3-ylbenzamide
CID 63636738
2-chloro-N-(5-hydroxypentyl)-N-methyl-6-nitrobenzamide
CID 107202351

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide?
The IUPAC name of N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide (CID 66184247) is N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide?
The canonical SMILES for N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide is CCN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide?
The InChIKey is VKUXFTSVFPALBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-2-15(8-6-14-7-8)12(17)11-9(13)4-3-5-10(11)16(18)19/h3-5,8,14H,2,6-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide?
N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide has a molecular weight of 283.71 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide is sourced from PubChem (CID 66184247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).