2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide

C22H21FN4O5 — CID 24871878

IUPAC2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(CCc3ccc(F)c(C(N)=O)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C22H21FN4O5/c1-32-14-4-3-13-10-27(19(29)15(13)9-14)11-22(20(30)25-21(31)26-22)7-6-12-2-5-17(23)16(8-12)18(24)28/h2-5,8-9H,6-7,10-11H2,1H3,(H2,24,28)(H2,25,26,30,31)/t22-/m1/s1
InChIKeySFAGUHLSZDWSOG-JOCHJYFZSA-N
MW440.43 g/mol
LogP1.10
Rot. Bonds7

About 2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide

2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide (PubChem CID 24871878) has the molecular formula C22H21FN4O5 and a molecular weight of 440.43 g/mol. Its IUPAC name is 2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide
PubChem CID24871878
Molecular FormulaC22H21FN4O5
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(CCc3ccc(F)c(C(N)=O)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C22H21FN4O5/c1-32-14-4-3-13-10-27(19(29)15(13)9-14)11-22(20(30)25-21(31)26-22)7-6-12-2-5-17(23)16(8-12)18(24)28/h2-5,8-9H,6-7,10-11H2,1H3,(H2,24,28)(H2,25,26,30,31)/t22-/m1/s1
InChIKeySFAGUHLSZDWSOG-JOCHJYFZSA-N
XLogP1.10
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide (CID 24871878) is 2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide is COc1ccc2c(c1)C(=O)N(C[C@@]1(CCc3ccc(F)c(C(N)=O)c3)NC(=O)NC1=O)C2.
What is the InChIKey of 2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide?
The InChIKey is SFAGUHLSZDWSOG-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21FN4O5/c1-32-14-4-3-13-10-27(19(29)15(13)9-14)11-22(20(30)25-21(31)26-22)7-6-12-2-5-17(23)16(8-12)18(24)28/h2-5,8-9H,6-7,10-11H2,1H3,(H2,24,28)(H2,25,26,30,31)/t22-/m1/s1.
What are the key properties of 2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide?
2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide has a molecular weight of 440.43 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 24871878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).