1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione

C24H27ClN2O4 — CID 134150746

IUPAC1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCC(c1ccc2c(c1)CCO2)N(C)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1
InChIInChI=1S/C24H27ClN2O4/c1-16(18-4-6-21-19(14-18)9-11-30-21)26(2)15-17-3-5-22(20(25)13-17)31-12-10-27-23(28)7-8-24(27)29/h3-6,13-14,16H,7-12,15H2,1-2H3
InChIKeyFGWBDFGBZYJHHD-UHFFFAOYSA-N
MW442.94 g/mol
LogP4.00
Rot. Bonds8

About 1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione

1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 134150746) has the molecular formula C24H27ClN2O4 and a molecular weight of 442.94 g/mol. Its IUPAC name is 1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione
PubChem CID134150746
Molecular FormulaC24H27ClN2O4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC Name1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCC(c1ccc2c(c1)CCO2)N(C)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1
InChIInChI=1S/C24H27ClN2O4/c1-16(18-4-6-21-19(14-18)9-11-30-21)26(2)15-17-3-5-22(20(25)13-17)31-12-10-27-23(28)7-8-24(27)29/h3-6,13-14,16H,7-12,15H2,1-2H3
InChIKeyFGWBDFGBZYJHHD-UHFFFAOYSA-N
XLogP4.00
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]-2-methoxyphenoxy]ethyl]-1-methylimidazolidine-2,4-dione
CID 134139917
1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
CID 122471975
1-[2-[4-[[cyclopropylmethyl-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
CID 122471882
3-(2,3-dihydro-1-benzofuran-5-yl)-3-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methylphenyl]methyl-(2-methylpropyl)amino]propanoic acid
CID 90014722
(3R)-3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]methyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 122501130
4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]methyl]amino]methyl]benzoic acid
CID 134145500
1-[2-[4-[[[(1R)-1-(4-chloro-3-methylphenyl)ethyl]-cyclobutylamino]methyl]-2-methylphenoxy]ethyl]pyrrolidine-2,5-dione
CID 122471758
4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-[[3-methyl-4-[2-(3-methyl-2,6-dioxo-1,3-diazinan-1-yl)ethoxy]phenyl]methyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 78122185
4-[[cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]methyl]amino]butanoic acid
CID 134151603
carbonic acid;1-[2-[4-[[cyclohexylmethyl-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
CID 122471818
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine
CID 99854678
1-[2-[4-[[[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-cyclobutylamino]methyl]-2-ethylphenoxy]ethyl]pyrrolidine-2,5-dione
CID 122471776

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione (CID 134150746) is 1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione is CC(c1ccc2c(c1)CCO2)N(C)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1.
What is the InChIKey of 1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione?
The InChIKey is FGWBDFGBZYJHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4/c1-16(18-4-6-21-19(14-18)9-11-30-21)26(2)15-17-3-5-22(20(25)13-17)31-12-10-27-23(28)7-8-24(27)29/h3-6,13-14,16H,7-12,15H2,1-2H3.
What are the key properties of 1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione?
1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 442.94 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-chloro-4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]phenoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134150746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).