N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide

C22H23BrN2O4 — CID 23802210

IUPACN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide
SMILESO=C1CC(N(C(=O)c2ccco2)C2CCCCCC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C22H23BrN2O4/c23-15-9-11-17(12-10-15)25-20(26)14-18(21(25)27)24(16-6-3-1-2-4-7-16)22(28)19-8-5-13-29-19/h5,8-13,16,18H,1-4,6-7,14H2
InChIKeyIQAXKQGOCKEITN-UHFFFAOYSA-N
MW459.34 g/mol
LogP4.54
Rot. Bonds4

About N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide (PubChem CID 23802210) has the molecular formula C22H23BrN2O4 and a molecular weight of 459.34 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide
PubChem CID23802210
Molecular FormulaC22H23BrN2O4
Molecular Weight459.34 g/mol
Exact Mass458.08
IUPAC NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide
SMILESO=C1CC(N(C(=O)c2ccco2)C2CCCCCC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C22H23BrN2O4/c23-15-9-11-17(12-10-15)25-20(26)14-18(21(25)27)24(16-6-3-1-2-4-7-16)22(28)19-8-5-13-29-19/h5,8-13,16,18H,1-4,6-7,14H2
InChIKeyIQAXKQGOCKEITN-UHFFFAOYSA-N
XLogP4.54
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide
CID 23802209
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-4-methylbenzamide
CID 23944596
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexyl-4-methylbenzamide
CID 23832421
N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972519
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide
CID 23915156
N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 25039679
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide
CID 23859194
N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide
CID 23745237
N-tert-butyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide
CID 23859372
N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide
CID 23832372
N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide
CID 23944547
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexylthiophene-2-carboxamide
CID 23859377

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide (CID 23802210) is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide is O=C1CC(N(C(=O)c2ccco2)C2CCCCCC2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide?
The InChIKey is IQAXKQGOCKEITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O4/c23-15-9-11-17(12-10-15)25-20(26)14-18(21(25)27)24(16-6-3-1-2-4-7-16)22(28)19-8-5-13-29-19/h5,8-13,16,18H,1-4,6-7,14H2.
What are the key properties of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide?
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide has a molecular weight of 459.34 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylfuran-2-carboxamide is sourced from PubChem (CID 23802210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).