N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide

C20H17FN4O5 — CID 89344425

IUPACN-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide
SMILESO=CNc1ccc(C2(CN3Cc4cc(OCF)ccc4C3=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C20H17FN4O5/c21-10-30-15-5-6-16-12(7-15)8-25(17(16)27)9-20(18(28)23-19(29)24-20)13-1-3-14(4-2-13)22-11-26/h1-7,11H,8-10H2,(H,22,26)(H2,23,24,28,29)
InChIKeyNWPVBCLBYLPTSL-UHFFFAOYSA-N
MW412.38 g/mol
LogP1.25
Rot. Bonds7

About N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide

N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide (PubChem CID 89344425) has the molecular formula C20H17FN4O5 and a molecular weight of 412.38 g/mol. Its IUPAC name is N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide
PubChem CID89344425
Molecular FormulaC20H17FN4O5
Molecular Weight412.38 g/mol
Exact Mass412.12
IUPAC NameN-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide
SMILESO=CNc1ccc(C2(CN3Cc4cc(OCF)ccc4C3=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C20H17FN4O5/c21-10-30-15-5-6-16-12(7-15)8-25(17(16)27)9-20(18(28)23-19(29)24-20)13-1-3-14(4-2-13)22-11-26/h1-7,11H,8-10H2,(H,22,26)(H2,23,24,28,29)
InChIKeyNWPVBCLBYLPTSL-UHFFFAOYSA-N
XLogP1.25
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 11717287
5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 70328628
(5R)-5-(4-bromophenyl)-5-[[6-(4-methylidenehex-5-en-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 143183812
5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 67579699
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143512854
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 46881522
(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143510401
(5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 11553841
5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 126748420
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
CID 24889697
(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 70792495
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione
CID 24871753

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide?
The IUPAC name of N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide (CID 89344425) is N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide.
What is the SMILES notation for N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide?
The canonical SMILES for N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide is O=CNc1ccc(C2(CN3Cc4cc(OCF)ccc4C3=O)NC(=O)NC2=O)cc1.
What is the InChIKey of N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide?
The InChIKey is NWPVBCLBYLPTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O5/c21-10-30-15-5-6-16-12(7-15)8-25(17(16)27)9-20(18(28)23-19(29)24-20)13-1-3-14(4-2-13)22-11-26/h1-7,11H,8-10H2,(H,22,26)(H2,23,24,28,29).
What are the key properties of N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide?
N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide has a molecular weight of 412.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide is sourced from PubChem (CID 89344425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).