N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide

C19H19N3O5 — CID 7548609

IUPACN-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide
SMILESCOc1ccc(N2C[C@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1
InChIInChI=1S/C19H19N3O5/c1-12-3-4-13(9-17(12)22(25)26)19(24)20-14-10-18(23)21(11-14)15-5-7-16(27-2)8-6-15/h3-9,14H,10-11H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyVFBUZFJTUXHDAS-CQSZACIVSA-N
MW369.38 g/mol
LogP2.45
Rot. Bonds5

About N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide

N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide (PubChem CID 7548609) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide
PubChem CID7548609
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide
SMILESCOc1ccc(N2C[C@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1
InChIInChI=1S/C19H19N3O5/c1-12-3-4-13(9-17(12)22(25)26)19(24)20-14-10-18(23)21(11-14)15-5-7-16(27-2)8-6-15/h3-9,14H,10-11H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyVFBUZFJTUXHDAS-CQSZACIVSA-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

4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 18573302
4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827
(3S)-1-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004968
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7548189
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 7564250
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-nitrobenzamide
CID 16822374
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide
CID 16822184
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255032

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide (CID 7548609) is N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide is COc1ccc(N2C[C@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1.
What is the InChIKey of N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide?
The InChIKey is VFBUZFJTUXHDAS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-12-3-4-13(9-17(12)22(25)26)19(24)20-14-10-18(23)21(11-14)15-5-7-16(27-2)8-6-15/h3-9,14H,10-11H2,1-2H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide?
N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-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-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 7548609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).