N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide

C18H17F5N4O3 — CID 162696797

IUPACN-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
SMILESO=C1NC(=O)[C@](CNC(=O)N2Cc3cc(C(F)F)c(C(F)(F)F)cc3C2)(C2CC2)N1
InChIInChI=1S/C18H17F5N4O3/c19-13(20)11-3-8-5-27(6-9(8)4-12(11)18(21,22)23)16(30)24-7-17(10-1-2-10)14(28)25-15(29)26-17/h3-4,10,13H,1-2,5-7H2,(H,24,30)(H2,25,26,28,29)/t17-/m0/s1
InChIKeyHROZPGGXZCIHMX-KRWDZBQOSA-N
MW432.35 g/mol
LogP2.66
Rot. Bonds4

About N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide

N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 162696797) has the molecular formula C18H17F5N4O3 and a molecular weight of 432.35 g/mol. Its IUPAC name is N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID162696797
Molecular FormulaC18H17F5N4O3
Molecular Weight432.35 g/mol
Exact Mass432.12
IUPAC NameN-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
SMILESO=C1NC(=O)[C@](CNC(=O)N2Cc3cc(C(F)F)c(C(F)(F)F)cc3C2)(C2CC2)N1
InChIInChI=1S/C18H17F5N4O3/c19-13(20)11-3-8-5-27(6-9(8)4-12(11)18(21,22)23)16(30)24-7-17(10-1-2-10)14(28)25-15(29)26-17/h3-4,10,13H,1-2,5-7H2,(H,24,30)(H2,25,26,28,29)/t17-/m0/s1
InChIKeyHROZPGGXZCIHMX-KRWDZBQOSA-N
XLogP2.66
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide with MolForge

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Related Compounds

2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole
CID 23646017
US12398120, Example 117
CID 156360353
US20240299360, Example 30-1
CID 156822866
US20240299360, Example 1
CID 156822884
US20240299360, Example 31-2
CID 156822890
US20240299360, Example 72
CID 156822921
US20240299360, Example 39
CID 156822936
US20240299360, Example 17
CID 156823009
US20240299360, Example 19
CID 156823112
US20240299360, Example 49-2
CID 156823189
US20240299360, Example 33
CID 156823205
US20240299360, Example 16
CID 156823250

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (CID 162696797) is N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide is O=C1NC(=O)[C@](CNC(=O)N2Cc3cc(C(F)F)c(C(F)(F)F)cc3C2)(C2CC2)N1.
What is the InChIKey of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is HROZPGGXZCIHMX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17F5N4O3/c19-13(20)11-3-8-5-27(6-9(8)4-12(11)18(21,22)23)16(30)24-7-17(10-1-2-10)14(28)25-15(29)26-17/h3-4,10,13H,1-2,5-7H2,(H,24,30)(H2,25,26,28,29)/t17-/m0/s1.
What are the key properties of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 432.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 162696797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).