4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide

C25H23N3O4 — CID 56545380

IUPAC4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccc(N4CCCC4=O)cc3)cc2)cc1
InChIInChI=1S/C25H23N3O4/c26-24(30)18-5-11-21(12-6-18)32-22-13-7-19(8-14-22)25(31)27-16-17-3-9-20(10-4-17)28-15-1-2-23(28)29/h3-14H,1-2,15-16H2,(H2,26,30)(H,27,31)
InChIKeyWWMYHKDAGFKGDT-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.63
Rot. Bonds7

About 4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide

4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide (PubChem CID 56545380) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide
PubChem CID56545380
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccc(N4CCCC4=O)cc3)cc2)cc1
InChIInChI=1S/C25H23N3O4/c26-24(30)18-5-11-21(12-6-18)32-22-13-7-19(8-14-22)25(31)27-16-17-3-9-20(10-4-17)28-15-1-2-23(28)29/h3-14H,1-2,15-16H2,(H2,26,30)(H,27,31)
InChIKeyWWMYHKDAGFKGDT-UHFFFAOYSA-N
XLogP3.63
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 50944989
N-[[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756708
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
4-(dimethylsulfamoyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588864
4-(1,3,4-oxadiazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589526
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43043526
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110425550
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 75414586
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9453685

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide (CID 56545380) is 4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccc(N4CCCC4=O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide?
The InChIKey is WWMYHKDAGFKGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c26-24(30)18-5-11-21(12-6-18)32-22-13-7-19(8-14-22)25(31)27-16-17-3-9-20(10-4-17)28-15-1-2-23(28)29/h3-14H,1-2,15-16H2,(H2,26,30)(H,27,31).
What are the key properties of 4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide?
4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide has a molecular weight of 429.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).