N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C18H16Br2N2O3 — CID 55611400

IUPACN-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3cc(Br)ccc3Br)CC2=O)cc1
InChIInChI=1S/C18H16Br2N2O3/c1-25-14-5-3-13(4-6-14)22-10-11(8-17(22)23)18(24)21-16-9-12(19)2-7-15(16)20/h2-7,9,11H,8,10H2,1H3,(H,21,24)
InChIKeyJKMBKEBEDIKEBT-UHFFFAOYSA-N
MW468.15 g/mol
LogP4.21
Rot. Bonds4

About N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55611400) has the molecular formula C18H16Br2N2O3 and a molecular weight of 468.15 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55611400
Molecular FormulaC18H16Br2N2O3
Molecular Weight468.15 g/mol
Exact Mass465.95
IUPAC NameN-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3cc(Br)ccc3Br)CC2=O)cc1
InChIInChI=1S/C18H16Br2N2O3/c1-25-14-5-3-13(4-6-14)22-10-11(8-17(22)23)18(24)21-16-9-12(19)2-7-15(16)20/h2-7,9,11H,8,10H2,1H3,(H,21,24)
InChIKeyJKMBKEBEDIKEBT-UHFFFAOYSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.15
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3576212
(3S)-N-(4-bromo-2-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260449
(3S)-N-(4-bromo-3-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35504330
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1101181
(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1040479
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
(3R)-1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109940
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43055288
N-(5-tert-butyl-2-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155544
(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94843087
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55611400) is N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3cc(Br)ccc3Br)CC2=O)cc1.
What is the InChIKey of N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JKMBKEBEDIKEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N2O3/c1-25-14-5-3-13(4-6-14)22-10-11(8-17(22)23)18(24)21-16-9-12(19)2-7-15(16)20/h2-7,9,11H,8,10H2,1H3,(H,21,24).
What are the key properties of N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 468.15 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55611400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).