N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide

C19H19N3O5 — CID 7687075

IUPACN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1N1CCCC1=O
InChIInChI=1S/C19H19N3O5/c1-12-10-13(5-7-15(12)22(25)26)19(24)20-14-6-8-17(27-2)16(11-14)21-9-3-4-18(21)23/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,24)
InChIKeyRIQQIJCRQKUGSW-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.29
Rot. Bonds5

About N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide (PubChem CID 7687075) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
PubChem CID7687075
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1N1CCCC1=O
InChIInChI=1S/C19H19N3O5/c1-12-10-13(5-7-15(12)22(25)26)19(24)20-14-6-8-17(27-2)16(11-14)21-9-3-4-18(21)23/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,24)
InChIKeyRIQQIJCRQKUGSW-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 55692147
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dipropoxybenzamide
CID 55657151
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686984
2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7687142
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 7687475
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 92862558

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide (CID 7687075) is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide is COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1N1CCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide?
The InChIKey is RIQQIJCRQKUGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-12-10-13(5-7-15(12)22(25)26)19(24)20-14-6-8-17(27-2)16(11-14)21-9-3-4-18(21)23/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,24).
What are the key properties of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide?
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide has a molecular weight of 369.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 7687075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).