2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide

C17H15N3O4 — CID 54382038

IUPAC2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1C(=O)NC1c1ccccc1
InChIInChI=1S/C17H15N3O4/c21-14(10-11-6-8-13(9-7-11)20(23)24)18-16-15(19-17(16)22)12-4-2-1-3-5-12/h1-9,15-16H,10H2,(H,18,21)(H,19,22)
InChIKeyVAPDIKYYXXGFAT-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.49
Rot. Bonds5

About 2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide

2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide (PubChem CID 54382038) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide
PubChem CID54382038
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1C(=O)NC1c1ccccc1
InChIInChI=1S/C17H15N3O4/c21-14(10-11-6-8-13(9-7-11)20(23)24)18-16-15(19-17(16)22)12-4-2-1-3-5-12/h1-9,15-16H,10H2,(H,18,21)(H,19,22)
InChIKeyVAPDIKYYXXGFAT-UHFFFAOYSA-N
XLogP1.49
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.49
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

N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide
CID 43594379
2-(4-nitrophenyl)-N-[(1R)-2-oxocyclopentyl]acetamide
CID 58413628
N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 46513490
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
(4-nitrophenyl)methyl (3S,5R,6R)-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylate
CID 139675440
2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254984
4-[[2-(4-nitrophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66220760
(6R,7S)-7-[[2-(4-nitrophenyl)acetyl]amino]-8-oxo-3-propan-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 131710303
(4-nitrophenyl)methyl 2-hydroxy-2-[2-oxo-3-[(2-phenylacetyl)amino]-4-sulfanylazetidin-1-yl]acetate
CID 87889537
2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 45144977
2-cyclopropyl-2-[[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 62696087

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide (CID 54382038) is 2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NC1C(=O)NC1c1ccccc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide?
The InChIKey is VAPDIKYYXXGFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-14(10-11-6-8-13(9-7-11)20(23)24)18-16-15(19-17(16)22)12-4-2-1-3-5-12/h1-9,15-16H,10H2,(H,18,21)(H,19,22).
What are the key properties of 2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide?
2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide has a molecular weight of 325.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide is sourced from PubChem (CID 54382038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).