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

C23H20BrN3O4 — CID 46492499

IUPAC5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H20BrN3O4/c1-26(23(30)19-12-13-20(24)31-19)18-6-3-2-5-17(18)22(29)25-15-8-10-16(11-9-15)27-14-4-7-21(27)28/h2-3,5-6,8-13H,4,7,14H2,1H3,(H,25,29)
InChIKeyCLUHWBLOOAFGOS-UHFFFAOYSA-N
MW482.33 g/mol
LogP4.70
Rot. Bonds5

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

5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 46492499) has the molecular formula C23H20BrN3O4 and a molecular weight of 482.33 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID46492499
Molecular FormulaC23H20BrN3O4
Molecular Weight482.33 g/mol
Exact Mass481.06
IUPAC Name5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H20BrN3O4/c1-26(23(30)19-12-13-20(24)31-19)18-6-3-2-5-17(18)22(29)25-15-8-10-16(11-9-15)27-14-4-7-21(27)28/h2-3,5-6,8-13H,4,7,14H2,1H3,(H,25,29)
InChIKeyCLUHWBLOOAFGOS-UHFFFAOYSA-N
XLogP4.70
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55786676
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CID 55967199
5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide
CID 55788772
5-bromo-N-[2-[[4-(carbamoylamino)phenyl]methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 112838198
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55786558
N-[4-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687294
2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28637305
5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide
CID 27171752
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-propylsulfonylbenzamide
CID 39942601
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 46492499) is 5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is CLUHWBLOOAFGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O4/c1-26(23(30)19-12-13-20(24)31-19)18-6-3-2-5-17(18)22(29)25-15-8-10-16(11-9-15)27-14-4-7-21(27)28/h2-3,5-6,8-13H,4,7,14H2,1H3,(H,25,29).
What are the key properties of 5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 482.33 g/mol, XLogP of 4.70, 5 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-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46492499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).