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

C17H16ClF3N4O3 — CID 162696823

IUPAC5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
SMILESO=C1NC(=O)[C@](CNC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)N1
InChIInChI=1S/C17H16ClF3N4O3/c18-12-4-9-6-25(5-8(9)3-11(12)17(19,20)21)15(28)22-7-16(10-1-2-10)13(26)23-14(27)24-16/h3-4,10H,1-2,5-7H2,(H,22,28)(H2,23,24,26,27)/t16-/m0/s1
InChIKeyZZDPBHZCYKIOGL-INIZCTEOSA-N
MW416.79 g/mol
LogP2.37
Rot. Bonds3

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

5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 162696823) has the molecular formula C17H16ClF3N4O3 and a molecular weight of 416.79 g/mol. Its IUPAC name is 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID162696823
Molecular FormulaC17H16ClF3N4O3
Molecular Weight416.79 g/mol
Exact Mass416.09
IUPAC Name5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
SMILESO=C1NC(=O)[C@](CNC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)N1
InChIInChI=1S/C17H16ClF3N4O3/c18-12-4-9-6-25(5-8(9)3-11(12)17(19,20)21)15(28)22-7-16(10-1-2-10)13(26)23-14(27)24-16/h3-4,10H,1-2,5-7H2,(H,22,28)(H2,23,24,26,27)/t16-/m0/s1
InChIKeyZZDPBHZCYKIOGL-INIZCTEOSA-N
XLogP2.37
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.79
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

US20240299360, Example 41
CID 156823008
US20240299360, Example 41-1
CID 156823051
US20240299360, Example 40
CID 156823160
US20240299360, Example 71-1
CID 156823206
5-[3-[5-Chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane
CID 156822886
5-[3-[5-Chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 156822887
1-[5-Chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-hydroxy-2-methylpropan-1-one;5-cyclopropylimidazolidine-2,4-dione;ethane
CID 156823126
5-[3-[5-Chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 156823232
5-Cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one
CID 156823273
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-(difluoromethyl)-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
CID 162696797
(1R)-5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
CID 162696798
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
CID 162696800

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (CID 162696823) is 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide is O=C1NC(=O)[C@](CNC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)N1.
What is the InChIKey of 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is ZZDPBHZCYKIOGL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16ClF3N4O3/c18-12-4-9-6-25(5-8(9)3-11(12)17(19,20)21)15(28)22-7-16(10-1-2-10)13(26)23-14(27)24-16/h3-4,10H,1-2,5-7H2,(H,22,28)(H2,23,24,26,27)/t16-/m0/s1.
What are the key properties of 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 416.79 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 162696823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).