N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C19H19N3O4 — CID 36662997

IUPACN-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H19N3O4/c1-13-4-7-15(12-17(13)22(25)26)20-18(23)11-14-5-8-16(9-6-14)21-10-2-3-19(21)24/h4-9,12H,2-3,10-11H2,1H3,(H,20,23)
InChIKeyJJXQDZRUXYGIRV-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.21
Rot. Bonds5

About N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 36662997) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID36662997
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H19N3O4/c1-13-4-7-15(12-17(13)22(25)26)20-18(23)11-14-5-8-16(9-6-14)21-10-2-3-19(21)24/h4-9,12H,2-3,10-11H2,1H3,(H,20,23)
InChIKeyJJXQDZRUXYGIRV-UHFFFAOYSA-N
XLogP3.21
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.21
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-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27708565
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
N-(4-chloro-3-cyanophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 86913737
2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26458961
N-(3-bromophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9038771
N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 26575746
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
2-(4-fluorophenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687249
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686974
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 99170180
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-3-nitrophenyl)propanamide
CID 29201494

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 36662997) is N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is JJXQDZRUXYGIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13-4-7-15(12-17(13)22(25)26)20-18(23)11-14-5-8-16(9-6-14)21-10-2-3-19(21)24/h4-9,12H,2-3,10-11H2,1H3,(H,20,23).
What are the key properties of N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 36662997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).