N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide

C23H23N3O6 — CID 23745291

IUPACN-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide
SMILESCOc1ccc(N2C(=O)CC(N(C(=O)c3cccc([N+](=O)[O-])c3)C3CCCC3)C2=O)cc1
InChIInChI=1S/C23H23N3O6/c1-32-19-11-9-17(10-12-19)25-21(27)14-20(23(25)29)24(16-6-2-3-7-16)22(28)15-5-4-8-18(13-15)26(30)31/h4-5,8-13,16,20H,2-3,6-7,14H2,1H3
InChIKeyJRIQLMGKDYPSLQ-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.32
Rot. Bonds6

About N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide

N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide (PubChem CID 23745291) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide
PubChem CID23745291
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC NameN-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide
SMILESCOc1ccc(N2C(=O)CC(N(C(=O)c3cccc([N+](=O)[O-])c3)C3CCCC3)C2=O)cc1
InChIInChI=1S/C23H23N3O6/c1-32-19-11-9-17(10-12-19)25-21(27)14-20(23(25)29)24(16-6-2-3-7-16)22(28)15-5-4-8-18(13-15)26(30)31/h4-5,8-13,16,20H,2-3,6-7,14H2,1H3
InChIKeyJRIQLMGKDYPSLQ-UHFFFAOYSA-N
XLogP3.32
TPSA110.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.32
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentyl-3-nitrobenzamide
CID 23860768
N-cyclopentyl-3-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745191
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-cyclopentyl-3-nitrobenzamide
CID 23916542
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3-methoxybenzamide
CID 23888438
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23830803
N-cyclopentyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-methoxybenzamide
CID 25037158
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitro-N'-propanoylbenzohydrazide
CID 3969845
N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23830829
N-butan-2-yl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide
CID 23745308
N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23916411
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23772971
ethyl 4-[3-[cycloheptyl-(3-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23860843

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide?
The IUPAC name of N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide (CID 23745291) is N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide is COc1ccc(N2C(=O)CC(N(C(=O)c3cccc([N+](=O)[O-])c3)C3CCCC3)C2=O)cc1.
What is the InChIKey of N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide?
The InChIKey is JRIQLMGKDYPSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-32-19-11-9-17(10-12-19)25-21(27)14-20(23(25)29)24(16-6-2-3-7-16)22(28)15-5-4-8-18(13-15)26(30)31/h4-5,8-13,16,20H,2-3,6-7,14H2,1H3.
What are the key properties of N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide?
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide has a molecular weight of 437.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide is sourced from PubChem (CID 23745291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).