2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate

C14H14Cl2N2O5 — CID 20537583

IUPAC2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate
SMILESCOCCOC(=O)NC1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C14H14Cl2N2O5/c1-22-2-3-23-14(21)17-11-7-12(19)18(13(11)20)10-5-8(15)4-9(16)6-10/h4-6,11H,2-3,7H2,1H3,(H,17,21)
InChIKeyWPYFIRKNXXGOAF-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.00
Rot. Bonds5

About 2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate

2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate (PubChem CID 20537583) has the molecular formula C14H14Cl2N2O5 and a molecular weight of 361.18 g/mol. Its IUPAC name is 2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate
PubChem CID20537583
Molecular FormulaC14H14Cl2N2O5
Molecular Weight361.18 g/mol
Exact Mass360.03
IUPAC Name2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate
SMILESCOCCOC(=O)NC1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C14H14Cl2N2O5/c1-22-2-3-23-14(21)17-11-7-12(19)18(13(11)20)10-5-8(15)4-9(16)6-10/h4-6,11H,2-3,7H2,1H3,(H,17,21)
InChIKeyWPYFIRKNXXGOAF-UHFFFAOYSA-N
XLogP2.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromoethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate
CID 20537574
N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 20537585
N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzohydrazide
CID 4972953
methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710173
dimethyl 5-[(3S)-3-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate
CID 97047056
3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 2929401
methyl 4-[3-[(4-chlorophenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 2937003
4-chloro-N-[2-[[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzamide
CID 2936381
1-(3,5-dichlorophenyl)-3-ethylsulfinylpyrrolidine-2,5-dione
CID 21453261
(3S)-1-(4-methoxyphenyl)-3-(3-methoxypropylamino)pyrrolidine-2,5-dione
CID 7471057
(3R)-1-(4-methoxyphenyl)-3-(3-methoxypropylamino)pyrrolidine-2,5-dione
CID 7471055
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate?
The IUPAC name of 2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate (CID 20537583) is 2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate is COCCOC(=O)NC1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of 2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate?
The InChIKey is WPYFIRKNXXGOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O5/c1-22-2-3-23-14(21)17-11-7-12(19)18(13(11)20)10-5-8(15)4-9(16)6-10/h4-6,11H,2-3,7H2,1H3,(H,17,21).
What are the key properties of 2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate?
2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate has a molecular weight of 361.18 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 20537583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).