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

C18H18BrN3O4 — CID 27171752

IUPAC5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H18BrN3O4/c19-15-8-7-14(26-15)18(25)21-11-16(23)20-10-12-3-5-13(6-4-12)22-9-1-2-17(22)24/h3-8H,1-2,9-11H2,(H,20,23)(H,21,25)
InChIKeyYTLCMOLPAASGBS-UHFFFAOYSA-N
MW420.26 g/mol
LogP2.22
Rot. Bonds6

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

5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide (PubChem CID 27171752) has the molecular formula C18H18BrN3O4 and a molecular weight of 420.26 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide
PubChem CID27171752
Molecular FormulaC18H18BrN3O4
Molecular Weight420.26 g/mol
Exact Mass419.05
IUPAC Name5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H18BrN3O4/c19-15-8-7-14(26-15)18(25)21-11-16(23)20-10-12-3-5-13(6-4-12)22-9-1-2-17(22)24/h3-8H,1-2,9-11H2,(H,20,23)(H,21,25)
InChIKeyYTLCMOLPAASGBS-UHFFFAOYSA-N
XLogP2.22
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide
CID 55788772
N-[2-oxo-2-[[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]amino]ethyl]furan-2-carboxamide
CID 8589592
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide
CID 8589010
N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43043526
N-[2-oxo-2-[[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 8589532
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749231
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide (CID 27171752) is 5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide?
The InChIKey is YTLCMOLPAASGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O4/c19-15-8-7-14(26-15)18(25)21-11-16(23)20-10-12-3-5-13(6-4-12)22-9-1-2-17(22)24/h3-8H,1-2,9-11H2,(H,20,23)(H,21,25).
What are the key properties of 5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide has a molecular weight of 420.26 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 27171752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).