5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane

C19H21ClF3N3O3 — CID 156822886

IUPAC5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane
SMILESC1CC1.CC1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)CCC1NC(=O)NC1=O
InChIInChI=1S/C16H15ClF3N3O3.C3H6/c1-7-9-5-10(16(18,19)20)11(17)4-8(9)6-23(7)13(24)3-2-12-14(25)22-15(26)21-12;1-2-3-1/h4-5,7,12H,2-3,6H2,1H3,(H2,21,22,25,26);1-3H2
InChIKeyONCCCPNKGQTHGM-UHFFFAOYSA-N
MW431.84 g/mol
LogP3.92
Rot. Bonds3

About 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane

5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane (PubChem CID 156822886) has the molecular formula C19H21ClF3N3O3 and a molecular weight of 431.84 g/mol. Its IUPAC name is 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane.

Molecular Properties

Compound Name5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane
PubChem CID156822886
Molecular FormulaC19H21ClF3N3O3
Molecular Weight431.84 g/mol
Exact Mass431.12
IUPAC Name5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane
SMILESC1CC1.CC1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)CCC1NC(=O)NC1=O
InChIInChI=1S/C16H15ClF3N3O3.C3H6/c1-7-9-5-10(16(18,19)20)11(17)4-8(9)6-23(7)13(24)3-2-12-14(25)22-15(26)21-12;1-2-3-1/h4-5,7,12H,2-3,6H2,1H3,(H2,21,22,25,26);1-3H2
InChIKeyONCCCPNKGQTHGM-UHFFFAOYSA-N
XLogP3.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.84
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane?
The IUPAC name of 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane (CID 156822886) is 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane.
What is the SMILES notation for 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane?
The canonical SMILES for 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane is C1CC1.CC1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)CCC1NC(=O)NC1=O.
What is the InChIKey of 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane?
The InChIKey is ONCCCPNKGQTHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O3.C3H6/c1-7-9-5-10(16(18,19)20)11(17)4-8(9)6-23(7)13(24)3-2-12-14(25)22-15(26)21-12;1-2-3-1/h4-5,7,12H,2-3,6H2,1H3,(H2,21,22,25,26);1-3H2.
What are the key properties of 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane?
5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane has a molecular weight of 431.84 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane is sourced from PubChem (CID 156822886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).