N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide

C23H23ClN2O5 — CID 23860686

IUPACN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(CC2CCCO2)C2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C23H23ClN2O5/c1-30-18-5-2-4-15(12-18)22(28)25(14-19-6-3-11-31-19)20-13-21(27)26(23(20)29)17-9-7-16(24)8-10-17/h2,4-5,7-10,12,19-20H,3,6,11,13-14H2,1H3
InChIKeyHIXUSRQIHSKIEM-UHFFFAOYSA-N
MW442.90 g/mol
LogP3.30
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide

N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 23860686) has the molecular formula C23H23ClN2O5 and a molecular weight of 442.90 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID23860686
Molecular FormulaC23H23ClN2O5
Molecular Weight442.90 g/mol
Exact Mass442.13
IUPAC NameN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(CC2CCCO2)C2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C23H23ClN2O5/c1-30-18-5-2-4-15(12-18)22(28)25(14-19-6-3-11-31-19)20-13-21(27)26(23(20)29)17-9-7-16(24)8-10-17/h2,4-5,7-10,12,19-20H,3,6,11,13-14H2,1H3
InChIKeyHIXUSRQIHSKIEM-UHFFFAOYSA-N
XLogP3.30
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 23745254
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
ethyl 4-[3-[(4-chloro-3-nitrobenzoyl)-(oxolan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23832196
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 23745204
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 23802087
methyl 4-[3-[(3-methoxybenzoyl)-prop-2-enylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23832241
N-cyclopentyl-3-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745191
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide
CID 23860685
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 23916588
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-3-methoxybenzamide
CID 23832242
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-3-methoxybenzamide
CID 23888445
[4-[2,5-dioxo-3-[oxolan-2-ylmethyl-(2-phenylacetyl)amino]pyrrolidin-1-yl]phenyl] acetate
CID 23971005

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide (CID 23860686) is N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide is COc1cccc(C(=O)N(CC2CCCO2)C2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is HIXUSRQIHSKIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5/c1-30-18-5-2-4-15(12-18)22(28)25(14-19-6-3-11-31-19)20-13-21(27)26(23(20)29)17-9-7-16(24)8-10-17/h2,4-5,7-10,12,19-20H,3,6,11,13-14H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide?
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 442.90 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 23860686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).