5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

C24H22BrN3O4 — CID 112841647

IUPAC5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C24H22BrN3O4/c25-21-11-10-20(32-21)24(31)27-19-8-6-18(7-9-19)23(30)26-14-16-3-1-4-17(13-16)15-28-12-2-5-22(28)29/h1,3-4,6-11,13H,2,5,12,14-15H2,(H,26,30)(H,27,31)
InChIKeyXJVFUXYSSGPTOU-UHFFFAOYSA-N
MW496.36 g/mol
LogP4.35
Rot. Bonds7

About 5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 112841647) has the molecular formula C24H22BrN3O4 and a molecular weight of 496.36 g/mol. Its IUPAC name is 5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID112841647
Molecular FormulaC24H22BrN3O4
Molecular Weight496.36 g/mol
Exact Mass495.08
IUPAC Name5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C24H22BrN3O4/c25-21-11-10-20(32-21)24(31)27-19-8-6-18(7-9-19)23(30)26-14-16-3-1-4-17(13-16)15-28-12-2-5-22(28)29/h1,3-4,6-11,13H,2,5,12,14-15H2,(H,26,30)(H,27,31)
InChIKeyXJVFUXYSSGPTOU-UHFFFAOYSA-N
XLogP4.35
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.36
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
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4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
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2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 86981622
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4-(2-methylsulfanylimidazol-1-yl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide (CID 112841647) is 5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide is O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is XJVFUXYSSGPTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O4/c25-21-11-10-20(32-21)24(31)27-19-8-6-18(7-9-19)23(30)26-14-16-3-1-4-17(13-16)15-28-12-2-5-22(28)29/h1,3-4,6-11,13H,2,5,12,14-15H2,(H,26,30)(H,27,31).
What are the key properties of 5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 496.36 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 112841647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).