methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate

C14H15Cl2NO4 — CID 178128854

IUPACmethyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CC(c2c(OC)ccc(Cl)c2Cl)CC1=O
InChIInChI=1S/C14H15Cl2NO4/c1-20-10-4-3-9(15)14(16)13(10)8-5-11(18)17(6-8)7-12(19)21-2/h3-4,8H,5-7H2,1-2H3
InChIKeyUKRVJOCKJDAHGN-UHFFFAOYSA-N
MW332.18 g/mol
LogP2.49
Rot. Bonds4

About methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate

methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate (PubChem CID 178128854) has the molecular formula C14H15Cl2NO4 and a molecular weight of 332.18 g/mol. Its IUPAC name is methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate
PubChem CID178128854
Molecular FormulaC14H15Cl2NO4
Molecular Weight332.18 g/mol
Exact Mass331.04
IUPAC Namemethyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CC(c2c(OC)ccc(Cl)c2Cl)CC1=O
InChIInChI=1S/C14H15Cl2NO4/c1-20-10-4-3-9(15)14(16)13(10)8-5-11(18)17(6-8)7-12(19)21-2/h3-4,8H,5-7H2,1-2H3
InChIKeyUKRVJOCKJDAHGN-UHFFFAOYSA-N
XLogP2.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 175799748
methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389
methyl 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 86316250
N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 27003765
6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 178128844
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate
CID 175386535
methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate
CID 125455997
N-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 44777957
2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid
CID 175761463
5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 175831393
methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate
CID 54773108

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate (CID 178128854) is methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate is COC(=O)CN1CC(c2c(OC)ccc(Cl)c2Cl)CC1=O.
What is the InChIKey of methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate?
The InChIKey is UKRVJOCKJDAHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO4/c1-20-10-4-3-9(15)14(16)13(10)8-5-11(18)17(6-8)7-12(19)21-2/h3-4,8H,5-7H2,1-2H3.
What are the key properties of methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate?
methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate has a molecular weight of 332.18 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 178128854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).