4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide

C26H26N2O5 — CID 56545543

IUPAC4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)c1
InChIInChI=1S/C26H26N2O5/c1-31-21-13-14-24(32-2)22(16-21)23-4-3-15-28(23)26(30)18-7-11-20(12-8-18)33-19-9-5-17(6-10-19)25(27)29/h5-14,16,23H,3-4,15H2,1-2H3,(H2,27,29)
InChIKeyKFNMHQWXSRUCIX-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.57
Rot. Bonds7

About 4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide

4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide (PubChem CID 56545543) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide
PubChem CID56545543
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)c1
InChIInChI=1S/C26H26N2O5/c1-31-21-13-14-24(32-2)22(16-21)23-4-3-15-28(23)26(30)18-7-11-20(12-8-18)33-19-9-5-17(6-10-19)25(27)29/h5-14,16,23H,3-4,15H2,1-2H3,(H2,27,29)
InChIKeyKFNMHQWXSRUCIX-UHFFFAOYSA-N
XLogP4.57
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide 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

[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(S)-methylsulfinyl]phenyl]methanone
CID 41328131
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(R)-methylsulfinyl]phenyl]methanone
CID 41328133
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 46525291
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 40953818
4-[[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]amino]benzamide
CID 11933896
3H-benzimidazol-5-yl-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 29364445
tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate
CID 55388968
N-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 55388746
4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide
CID 56545893
(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 26682208

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide (CID 56545543) is 4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide is COc1ccc(OC)c(C2CCCN2C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)c1.
What is the InChIKey of 4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide?
The InChIKey is KFNMHQWXSRUCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-31-21-13-14-24(32-2)22(16-21)23-4-3-15-28(23)26(30)18-7-11-20(12-8-18)33-19-9-5-17(6-10-19)25(27)29/h5-14,16,23H,3-4,15H2,1-2H3,(H2,27,29).
What are the key properties of 4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide?
4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide has a molecular weight of 446.50 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide is sourced from PubChem (CID 56545543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).