6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide

C19H14F2N4O4 — CID 90843944

IUPAC6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide
SMILESNC(=O)c1cc2cn(CC3(c4ccc(F)cc4)NC(=O)NC3=O)c(O)c2cc1F
InChIInChI=1S/C19H14F2N4O4/c20-11-3-1-10(2-4-11)19(17(28)23-18(29)24-19)8-25-7-9-5-13(15(22)26)14(21)6-12(9)16(25)27/h1-7,27H,8H2,(H2,22,26)(H2,23,24,28,29)
InChIKeyYFJOJQHQLAVOIK-UHFFFAOYSA-N
MW400.34 g/mol
LogP1.46
Rot. Bonds4

About 6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide

6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide (PubChem CID 90843944) has the molecular formula C19H14F2N4O4 and a molecular weight of 400.34 g/mol. Its IUPAC name is 6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide
PubChem CID90843944
Molecular FormulaC19H14F2N4O4
Molecular Weight400.34 g/mol
Exact Mass400.10
IUPAC Name6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide
SMILESNC(=O)c1cc2cn(CC3(c4ccc(F)cc4)NC(=O)NC3=O)c(O)c2cc1F
InChIInChI=1S/C19H14F2N4O4/c20-11-3-1-10(2-4-11)19(17(28)23-18(29)24-19)8-25-7-9-5-13(15(22)26)14(21)6-12(9)16(25)27/h1-7,27H,8H2,(H2,22,26)(H2,23,24,28,29)
InChIKeyYFJOJQHQLAVOIK-UHFFFAOYSA-N
XLogP1.46
TPSA126.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.34
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione
CID 90697260
N-[3-(2-butylpiperidin-1-yl)propyl]-2-[(3-fluorophenyl)methyl]-3-hydroxyisoindole-5-carboxamide
CID 90702016
5-(2,4-Difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90707302
5-[(6-Fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 90728782
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 90734875
(5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
CID 90740839
5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90750580
(5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90759376
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90769418
5-(4-Fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 90780342
(5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
CID 90782383
5-(4-Fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 90790489

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide?
The IUPAC name of 6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide (CID 90843944) is 6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide.
What is the SMILES notation for 6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide?
The canonical SMILES for 6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide is NC(=O)c1cc2cn(CC3(c4ccc(F)cc4)NC(=O)NC3=O)c(O)c2cc1F.
What is the InChIKey of 6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide?
The InChIKey is YFJOJQHQLAVOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O4/c20-11-3-1-10(2-4-11)19(17(28)23-18(29)24-19)8-25-7-9-5-13(15(22)26)14(21)6-12(9)16(25)27/h1-7,27H,8H2,(H2,22,26)(H2,23,24,28,29).
What are the key properties of 6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide?
6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide has a molecular weight of 400.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-hydroxyisoindole-5-carboxamide is sourced from PubChem (CID 90843944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).