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

C18H16Br2N2O2 — CID 24687497

IUPAC1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H16Br2N2O2/c19-14-6-7-16(15(20)9-14)21-18(24)13-8-17(23)22(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,21,24)
InChIKeyCOJPVALZWYTQTF-UHFFFAOYSA-N
MW452.15 g/mol
LogP4.20
Rot. Bonds4

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

1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 24687497) has the molecular formula C18H16Br2N2O2 and a molecular weight of 452.15 g/mol. Its IUPAC name is 1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID24687497
Molecular FormulaC18H16Br2N2O2
Molecular Weight452.15 g/mol
Exact Mass449.96
IUPAC Name1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H16Br2N2O2/c19-14-6-7-16(15(20)9-14)21-18(24)13-8-17(23)22(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,21,24)
InChIKeyCOJPVALZWYTQTF-UHFFFAOYSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.15
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide (CID 24687497) is 1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Br)cc1Br)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is COJPVALZWYTQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N2O2/c19-14-6-7-16(15(20)9-14)21-18(24)13-8-17(23)22(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,21,24).
What are the key properties of 1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 452.15 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24687497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).