N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C26H25BrN2O4 — CID 22422414

IUPACN-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccc(C)cc3Br)CC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H25BrN2O4/c1-16-4-13-23(22(27)14-16)28-26(31)21-15-24(30)29(18-7-11-20(33-3)12-8-18)25(21)17-5-9-19(32-2)10-6-17/h4-14,21,25H,15H2,1-3H3,(H,28,31)
InChIKeyOSUYBVDPRDKWIW-UHFFFAOYSA-N
MW509.40 g/mol
LogP5.51
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 22422414) has the molecular formula C26H25BrN2O4 and a molecular weight of 509.40 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID22422414
Molecular FormulaC26H25BrN2O4
Molecular Weight509.40 g/mol
Exact Mass508.10
IUPAC NameN-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccc(C)cc3Br)CC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H25BrN2O4/c1-16-4-13-23(22(27)14-16)28-26(31)21-15-24(30)29(18-7-11-20(33-3)12-8-18)25(21)17-5-9-19(32-2)10-6-17/h4-14,21,25H,15H2,1-3H3,(H,28,31)
InChIKeyOSUYBVDPRDKWIW-UHFFFAOYSA-N
XLogP5.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.40
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 22422414) is N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C2C(C(=O)Nc3ccc(C)cc3Br)CC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OSUYBVDPRDKWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN2O4/c1-16-4-13-23(22(27)14-16)28-26(31)21-15-24(30)29(18-7-11-20(33-3)12-8-18)25(21)17-5-9-19(32-2)10-6-17/h4-14,21,25H,15H2,1-3H3,(H,28,31).
What are the key properties of N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 509.40 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 22422414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).