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

C18H17BrN2O3 — CID 3122111

IUPAC1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H17BrN2O3/c1-24-16-5-3-2-4-15(16)20-18(23)12-10-17(22)21(11-12)14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3,(H,20,23)
InChIKeyPGNPXGWTLIDNHC-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.45
Rot. Bonds4

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

1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3122111) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3122111
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H17BrN2O3/c1-24-16-5-3-2-4-15(16)20-18(23)12-10-17(22)21(11-12)14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3,(H,20,23)
InChIKeyPGNPXGWTLIDNHC-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 3122111) is 1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1NC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PGNPXGWTLIDNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-24-16-5-3-2-4-15(16)20-18(23)12-10-17(22)21(11-12)14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3,(H,20,23).
What are the key properties of 1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 389.25 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3122111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).