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

C18H18ClF3N4O3 — CID 162696820

IUPAC(1S)-5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
SMILESC[C@H]1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O
InChIInChI=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
InChIKeyFZZNSQRVSIUXIN-QPFGOUBPSA-N
MW430.81 g/mol
LogP2.93
Rot. Bonds3

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

(1S)-5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 162696820) has the molecular formula C18H18ClF3N4O3 and a molecular weight of 430.81 g/mol. Its IUPAC name is (1S)-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(1S)-5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID162696820
Molecular FormulaC18H18ClF3N4O3
Molecular Weight430.81 g/mol
Exact Mass430.10
IUPAC Name(1S)-5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
SMILESC[C@H]1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O
InChIInChI=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
InChIKeyFZZNSQRVSIUXIN-QPFGOUBPSA-N
XLogP2.93
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.81
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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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
N-[(3-chloro-4-cyano-2-methylphenyl)-(3-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-2,2,2-trifluoroacetamide
CID 87870249
5-chloro-N-[[2,5-dioxo-4-(1,3,4-trimethylimidazolidin-2-yl)imidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 156370269
5-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-formamido-N-methyl-5-oxopentanamide
CID 156822864
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
CID 156822926
CID 156822926
5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-formamido-N-methyl-5-oxopentanamide
CID 156822957
CID 156823021
CID 156823021

Frequently Asked Questions

What is the IUPAC name of (1S)-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 (1S)-5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (CID 162696820) is (1S)-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 (1S)-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 (1S)-5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide is C[C@H]1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O.
What is the InChIKey of (1S)-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-QPFGOUBPSA-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 (1S)-5-chloro-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
(1S)-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 (1S)-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 162696820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).