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

C18H18ClF3N4O3 — CID 162696807

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

5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 162696807) has the molecular formula C18H18ClF3N4O3 and a molecular weight of 430.81 g/mol. Its IUPAC name is 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
• PubChem CID: 162696807
• Molecular Formula: C18H18ClF3N4O3
• Molecular Weight: 430.81 g/mol
• Exact Mass: 430.10
• IUPAC Name: 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
• SMILES: CC1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O
• InChI: InChI=1S/C18H18ClF3N4O3/c1-8-11-5-12(18(20,21)22)13(19)4-9(11)6-26(8)16(29)23-7-17(10-2-3-10)14(27)24-15(28)25-17/h4-5,8,10H,2-3,6-7H2,1H3,(H,23,29)(H2,24,25,27,28)/t8?,17-/m0/s1
• InChIKey: FZZNSQRVSIUXIN-UIQXJYDPSA-N
• XLogP: 2.93
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.81
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?

The IUPAC name of 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (CID 162696807) is 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-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]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide is CC1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O.

What is the InChIKey of 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?

The InChIKey is FZZNSQRVSIUXIN-UIQXJYDPSA-N. The full InChI is InChI=1S/C18H18ClF3N4O3/c1-8-11-5-12(18(20,21)22)13(19)4-9(11)6-26(8)16(29)23-7-17(10-2-3-10)14(27)24-15(28)25-17/h4-5,8,10H,2-3,6-7H2,1H3,(H,23,29)(H2,24,25,27,28)/t8?,17-/m0/s1.

What are the key properties of 5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?

5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 430.81 g/mol, XLogP of 2.93, 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]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 162696807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).