5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide

C24H22BrN3O4 — CID 55788772

IUPAC5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H22BrN3O4/c25-21-12-11-20(32-21)24(31)27-18-7-3-16(4-8-18)14-22(29)26-15-17-5-9-19(10-6-17)28-13-1-2-23(28)30/h3-12H,1-2,13-15H2,(H,26,29)(H,27,31)
InChIKeyPCAZWIWKJARHKV-UHFFFAOYSA-N
MW496.36 g/mol
LogP4.28
Rot. Bonds7

About 5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide (PubChem CID 55788772) has the molecular formula C24H22BrN3O4 and a molecular weight of 496.36 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide
PubChem CID55788772
Molecular FormulaC24H22BrN3O4
Molecular Weight496.36 g/mol
Exact Mass495.08
IUPAC Name5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H22BrN3O4/c25-21-12-11-20(32-21)24(31)27-18-7-3-16(4-8-18)14-22(29)26-15-17-5-9-19(10-6-17)28-13-1-2-23(28)30/h3-12H,1-2,13-15H2,(H,26,29)(H,27,31)
InChIKeyPCAZWIWKJARHKV-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide
CID 27171752
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 46492499
2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749209
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9305669
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8948642
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
5-bromo-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686704
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide (CID 55788772) is 5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide is O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide?
The InChIKey is PCAZWIWKJARHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O4/c25-21-12-11-20(32-21)24(31)27-18-7-3-16(4-8-18)14-22(29)26-15-17-5-9-19(10-6-17)28-13-1-2-23(28)30/h3-12H,1-2,13-15H2,(H,26,29)(H,27,31).
What are the key properties of 5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide has a molecular weight of 496.36 g/mol, XLogP of 4.28, 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-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55788772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).