N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide

C19H19N3O4 — CID 5051528

IUPACN-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide
SMILESO=C1CCCN1CN(C(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O4/c23-18-7-4-12-20(18)14-21(16-8-10-17(11-9-16)22(25)26)19(24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2
InChIKeyNLBFOTXZTOXSMK-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.75
Rot. Bonds6

About N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide

N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide (PubChem CID 5051528) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide
PubChem CID5051528
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide
SMILESO=C1CCCN1CN(C(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O4/c23-18-7-4-12-20(18)14-21(16-8-10-17(11-9-16)22(25)26)19(24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2
InChIKeyNLBFOTXZTOXSMK-UHFFFAOYSA-N
XLogP2.75
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
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

4-[(2-oxopyrrolidin-1-yl)methyl-(2-phenylacetyl)amino]benzamide
CID 5179253
2-bromo-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4275302
4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide
CID 3429807
N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
CID 4082079
4-chloro-3-nitro-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4098524
N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3644568
3,4-dimethoxy-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4256667
N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 4986891
N-[(2-oxopyrrolidin-1-yl)methyl]-N,4-diphenylbenzamide
CID 4682478
2-(4-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78802488
1-[2-(4-nitrophenyl)-2-oxoethyl]piperidin-2-one
CID 62024655
4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3576394

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide (CID 5051528) is N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide is O=C1CCCN1CN(C(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide?
The InChIKey is NLBFOTXZTOXSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-18-7-4-12-20(18)14-21(16-8-10-17(11-9-16)22(25)26)19(24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2.
What are the key properties of N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide?
N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide has a molecular weight of 353.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 5051528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).