N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide

C19H19N3O4 — CID 7255046

IUPACN-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide
SMILESCc1ccc(N2C[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-13-2-6-16(7-3-13)21-12-15(11-19(21)24)20-18(23)10-14-4-8-17(9-5-14)22(25)26/h2-9,15H,10-12H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyLJFMWGZZWRAGOY-OAHLLOKOSA-N
MW353.38 g/mol
LogP2.37
Rot. Bonds5

About N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide

N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide (PubChem CID 7255046) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide
PubChem CID7255046
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide
SMILESCc1ccc(N2C[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-13-2-6-16(7-3-13)21-12-15(11-19(21)24)20-18(23)10-14-4-8-17(9-5-14)22(25)26/h2-9,15H,10-12H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyLJFMWGZZWRAGOY-OAHLLOKOSA-N
XLogP2.37
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 ≤ 52.37
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-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254984
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255032
(4-nitrophenyl)methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2872535
3-(4-methoxyphenyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7255066
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 7255054
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-phenylphenyl)acetamide
CID 43971255
1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)urea
CID 43970743
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)urea
CID 7533363
2-(3-methylphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254986
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide (CID 7255046) is N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide is Cc1ccc(N2C[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1.
What is the InChIKey of N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide?
The InChIKey is LJFMWGZZWRAGOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13-2-6-16(7-3-13)21-12-15(11-19(21)24)20-18(23)10-14-4-8-17(9-5-14)22(25)26/h2-9,15H,10-12H2,1H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide?
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 7255046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).