N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide

C19H19N3O5 — CID 16822184

IUPACN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide
SMILESCOc1cccc(N2CC(NC(=O)c3cccc([N+](=O)[O-])c3C)CC2=O)c1
InChIInChI=1S/C19H19N3O5/c1-12-16(7-4-8-17(12)22(25)26)19(24)20-13-9-18(23)21(11-13)14-5-3-6-15(10-14)27-2/h3-8,10,13H,9,11H2,1-2H3,(H,20,24)
InChIKeyTWIPNDFCCXNDEL-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.45
Rot. Bonds5

About N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide

N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide (PubChem CID 16822184) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide
PubChem CID16822184
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide
SMILESCOc1cccc(N2CC(NC(=O)c3cccc([N+](=O)[O-])c3C)CC2=O)c1
InChIInChI=1S/C19H19N3O5/c1-12-16(7-4-8-17(12)22(25)26)19(24)20-13-9-18(23)21(11-13)14-5-3-6-15(10-14)27-2/h3-8,10,13H,9,11H2,1-2H3,(H,20,24)
InChIKeyTWIPNDFCCXNDEL-UHFFFAOYSA-N
XLogP2.45
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-nitrobenzamide
CID 7548187
2-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548070
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7548189
2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7254959
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide
CID 7548609
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178
(Z)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 16822197
(Z)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 7255208
N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methyl-3-nitrobenzamide
CID 16918402
1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544056

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide (CID 16822184) is N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide is COc1cccc(N2CC(NC(=O)c3cccc([N+](=O)[O-])c3C)CC2=O)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide?
The InChIKey is TWIPNDFCCXNDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-12-16(7-4-8-17(12)22(25)26)19(24)20-13-9-18(23)21(11-13)14-5-3-6-15(10-14)27-2/h3-8,10,13H,9,11H2,1-2H3,(H,20,24).
What are the key properties of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide?
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide has a molecular weight of 369.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 16822184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).