2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide

C12H14ClN3O3 — CID 116678757

IUPAC2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CNC1
InChIInChI=1S/C12H14ClN3O3/c1-7(8-5-14-6-8)12(17)15-9-2-3-11(16(18)19)10(13)4-9/h2-4,7-8,14H,5-6H2,1H3,(H,15,17)
InChIKeyWTLSJKUUMQNHJY-UHFFFAOYSA-N
MW283.72 g/mol
LogP2.04
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide

2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide (PubChem CID 116678757) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide
PubChem CID116678757
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC Name2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CNC1
InChIInChI=1S/C12H14ClN3O3/c1-7(8-5-14-6-8)12(17)15-9-2-3-11(16(18)19)10(13)4-9/h2-4,7-8,14H,5-6H2,1H3,(H,15,17)
InChIKeyWTLSJKUUMQNHJY-UHFFFAOYSA-N
XLogP2.04
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 52.04
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

5-[2-(azetidin-3-yl)propanoylamino]-2-chlorobenzoic acid
CID 116675875
2-(azetidin-3-yl)-N-(4,5-dimethyl-2-nitrophenyl)propanamide
CID 116677616
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
2-bromo-N-(3-chloro-4-nitrophenyl)butanamide
CID 82864976
2-amino-N-(3-chloro-4-nitrophenyl)-3,3-dimethylbutanamide
CID 112555883
N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide
CID 82864995
methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
CID 116675796
N-(3-chloro-4-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 82864846
N-(3-chloro-4-nitrophenyl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 82865928
N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide
CID 82864265
2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 116674855
2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116675730

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide (CID 116678757) is 2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide is CC(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide?
The InChIKey is WTLSJKUUMQNHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-7(8-5-14-6-8)12(17)15-9-2-3-11(16(18)19)10(13)4-9/h2-4,7-8,14H,5-6H2,1H3,(H,15,17).
What are the key properties of 2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide?
2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide has a molecular weight of 283.72 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide is sourced from PubChem (CID 116678757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).