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

C24H22BrN3O4 — CID 55967199

IUPAC5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C24H22BrN3O4/c1-27(24(31)20-11-12-21(25)32-20)19-9-3-2-8-18(19)23(30)26-17-7-4-6-16(14-17)15-28-13-5-10-22(28)29/h2-4,6-9,11-12,14H,5,10,13,15H2,1H3,(H,26,30)
InChIKeyRPWFVAPCFNHFIA-UHFFFAOYSA-N
MW496.36 g/mol
LogP4.69
Rot. Bonds6

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

5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55967199) has the molecular formula C24H22BrN3O4 and a molecular weight of 496.36 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55967199
Molecular FormulaC24H22BrN3O4
Molecular Weight496.36 g/mol
Exact Mass495.08
IUPAC Name5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C24H22BrN3O4/c1-27(24(31)20-11-12-21(25)32-20)19-9-3-2-8-18(19)23(30)26-17-7-4-6-16(14-17)15-28-13-5-10-22(28)29/h2-4,6-9,11-12,14H,5,10,13,15H2,1H3,(H,26,30)
InChIKeyRPWFVAPCFNHFIA-UHFFFAOYSA-N
XLogP4.69
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 55967199) is 5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide is CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is RPWFVAPCFNHFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O4/c1-27(24(31)20-11-12-21(25)32-20)19-9-3-2-8-18(19)23(30)26-17-7-4-6-16(14-17)15-28-13-5-10-22(28)29/h2-4,6-9,11-12,14H,5,10,13,15H2,1H3,(H,26,30).
What are the key properties of 5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 496.36 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55967199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).