N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H20BrClN2O4 — CID 43055288

IUPACN-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C20H20BrClN2O4/c1-3-28-19-16(21)9-13(22)10-17(19)23-20(26)12-8-18(25)24(11-12)14-4-6-15(27-2)7-5-14/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,23,26)
InChIKeyHUQMQRCHPZSDOS-UHFFFAOYSA-N
MW467.75 g/mol
LogP4.50
Rot. Bonds6

About N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43055288) has the molecular formula C20H20BrClN2O4 and a molecular weight of 467.75 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43055288
Molecular FormulaC20H20BrClN2O4
Molecular Weight467.75 g/mol
Exact Mass466.03
IUPAC NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C20H20BrClN2O4/c1-3-28-19-16(21)9-13(22)10-17(19)23-20(26)12-8-18(25)24(11-12)14-4-6-15(27-2)7-5-14/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,23,26)
InChIKeyHUQMQRCHPZSDOS-UHFFFAOYSA-N
XLogP4.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.75
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-bromo-2-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260449
N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55611400
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46572792
(3S)-N-(2-bromo-4-methylphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1305786
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
N-(4-bromo-2-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3576212
(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
(3R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51933901
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220393
(3S)-N-(4-bromo-3-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35504330
N-(5-tert-butyl-2-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155544

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 43055288) is N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1c(Br)cc(Cl)cc1NC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HUQMQRCHPZSDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN2O4/c1-3-28-19-16(21)9-13(22)10-17(19)23-20(26)12-8-18(25)24(11-12)14-4-6-15(27-2)7-5-14/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,23,26).
What are the key properties of N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 467.75 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43055288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).