N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

C24H24F2N2O3 — CID 23972519

IUPACN-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
SMILESO=C1CC(N(C(=O)c2ccc(F)cc2)C2CCCCCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C24H24F2N2O3/c25-17-9-7-16(8-10-17)23(30)27(19-5-3-1-2-4-6-19)21-15-22(29)28(24(21)31)20-13-11-18(26)12-14-20/h7-14,19,21H,1-6,15H2
InChIKeyZQIAYDSBCNRWQH-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.46
Rot. Bonds4

About N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide (PubChem CID 23972519) has the molecular formula C24H24F2N2O3 and a molecular weight of 426.46 g/mol. Its IUPAC name is N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
PubChem CID23972519
Molecular FormulaC24H24F2N2O3
Molecular Weight426.46 g/mol
Exact Mass426.18
IUPAC NameN-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
SMILESO=C1CC(N(C(=O)c2ccc(F)cc2)C2CCCCCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C24H24F2N2O3/c25-17-9-7-16(8-10-17)23(30)27(19-5-3-1-2-4-6-19)21-15-22(29)28(24(21)31)20-13-11-18(26)12-14-20/h7-14,19,21H,1-6,15H2
InChIKeyZQIAYDSBCNRWQH-UHFFFAOYSA-N
XLogP4.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?
The IUPAC name of N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide (CID 23972519) is N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?
The canonical SMILES for N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is O=C1CC(N(C(=O)c2ccc(F)cc2)C2CCCCCC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?
The InChIKey is ZQIAYDSBCNRWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O3/c25-17-9-7-16(8-10-17)23(30)27(19-5-3-1-2-4-6-19)21-15-22(29)28(24(21)31)20-13-11-18(26)12-14-20/h7-14,19,21H,1-6,15H2.
What are the key properties of N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?
N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide has a molecular weight of 426.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 23972519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).