(3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone

C23H28ClNO5 — CID 46636899

IUPAC(3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCCOc1c(Cl)cc(C(=O)N2CCCC2c2cc(OC)ccc2OC)cc1OC
InChIInChI=1S/C23H28ClNO5/c1-5-11-30-22-18(24)12-15(13-21(22)29-4)23(26)25-10-6-7-19(25)17-14-16(27-2)8-9-20(17)28-3/h8-9,12-14,19H,5-7,10-11H2,1-4H3
InChIKeyGINRFHOUSBNZLS-UHFFFAOYSA-N
MW433.93 g/mol
LogP5.13
Rot. Bonds8

About (3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone

(3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 46636899) has the molecular formula C23H28ClNO5 and a molecular weight of 433.93 g/mol. Its IUPAC name is (3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID46636899
Molecular FormulaC23H28ClNO5
Molecular Weight433.93 g/mol
Exact Mass433.17
IUPAC Name(3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCCOc1c(Cl)cc(C(=O)N2CCCC2c2cc(OC)ccc2OC)cc1OC
InChIInChI=1S/C23H28ClNO5/c1-5-11-30-22-18(24)12-15(13-21(22)29-4)23(26)25-10-6-7-19(25)17-14-16(27-2)8-9-20(17)28-3/h8-9,12-14,19H,5-7,10-11H2,1-4H3
InChIKeyGINRFHOUSBNZLS-UHFFFAOYSA-N
XLogP5.13
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.93
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 26682208
[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(S)-methylsulfinyl]phenyl]methanone
CID 41328131
4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide
CID 56545543
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(R)-methylsulfinyl]phenyl]methanone
CID 41328133
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 40953818
N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 55555216
1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 41111642
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 46525291
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 51594322
3H-benzimidazol-5-yl-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 29364445

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone (CID 46636899) is (3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone is CCCOc1c(Cl)cc(C(=O)N2CCCC2c2cc(OC)ccc2OC)cc1OC.
What is the InChIKey of (3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is GINRFHOUSBNZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO5/c1-5-11-30-22-18(24)12-15(13-21(22)29-4)23(26)25-10-6-7-19(25)17-14-16(27-2)8-9-20(17)28-3/h8-9,12-14,19H,5-7,10-11H2,1-4H3.
What are the key properties of (3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
(3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 433.93 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46636899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).