N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C18H16Cl2N2O4 — CID 108798823

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3cc(Cl)c(O)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C18H16Cl2N2O4/c1-26-13-4-2-12(3-5-13)22-9-10(6-16(22)23)18(25)21-11-7-14(19)17(24)15(20)8-11/h2-5,7-8,10,24H,6,9H2,1H3,(H,21,25)
InChIKeyCIEZGLYGOJRKAC-UHFFFAOYSA-N
MW395.24 g/mol
LogP3.70
Rot. Bonds4

About N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108798823) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108798823
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3cc(Cl)c(O)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C18H16Cl2N2O4/c1-26-13-4-2-12(3-5-13)22-9-10(6-16(22)23)18(25)21-11-7-14(19)17(24)15(20)8-11/h2-5,7-8,10,24H,6,9H2,1H3,(H,21,25)
InChIKeyCIEZGLYGOJRKAC-UHFFFAOYSA-N
XLogP3.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7316360
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
(3R)-N-(3,5-difluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7258686
1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
N-(3-amino-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119420414
N-(4-methoxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791034
1-(4-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188168
(3S)-N-(4-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1088212
(3S)-N-(4-bromo-2-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260449

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 108798823) is N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3cc(Cl)c(O)c(Cl)c3)CC2=O)cc1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CIEZGLYGOJRKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-26-13-4-2-12(3-5-13)22-9-10(6-16(22)23)18(25)21-11-7-14(19)17(24)15(20)8-11/h2-5,7-8,10,24H,6,9H2,1H3,(H,21,25).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.24 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108798823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).