4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C19H19N3O6 — CID 7686410

IUPAC4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H19N3O6/c1-27-16-10-14(15(22(25)26)11-17(16)28-2)19(24)20-12-5-7-13(8-6-12)21-9-3-4-18(21)23/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,24)
InChIKeyISNMDFGSYBBFGD-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.99
Rot. Bonds6

About 4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 7686410) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is 4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID7686410
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Name4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H19N3O6/c1-27-16-10-14(15(22(25)26)11-17(16)28-2)19(24)20-12-5-7-13(8-6-12)21-9-3-4-18(21)23/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,24)
InChIKeyISNMDFGSYBBFGD-UHFFFAOYSA-N
XLogP2.99
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-(2,3-dihydroindol-1-yl)phenyl]-4,5-dimethoxy-2-nitrobenzamide
CID 55882312
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
4-(difluoromethoxy)-5-methoxy-2-nitro-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 42393819
N-(4-bromophenyl)-4,5-dimethoxy-2-nitrobenzamide
CID 1350567
1-(3-methoxy-4-nitrophenyl)pyrrolidin-2-one
CID 166609008
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4,5-dimethoxy-2-nitrobenzamide
CID 90557258
3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 39902627
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 51172435
3,5-dimethoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686372
3,4,5-trimethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687225
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 7686410) is 4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is ISNMDFGSYBBFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-27-16-10-14(15(22(25)26)11-17(16)28-2)19(24)20-12-5-7-13(8-6-12)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 4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 385.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 7686410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).