1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one

C23H25ClN2O4 — CID 41111642

IUPAC1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1
InChIInChI=1S/C23H25ClN2O4/c1-29-16-8-10-21(30-2)17(14-16)19-5-3-12-26(19)23(28)15-7-9-18(24)20(13-15)25-11-4-6-22(25)27/h7-10,13-14,19H,3-6,11-12H2,1-2H3/t19-/m1/s1
InChIKeyNBTYVFJNCJRKHT-LJQANCHMSA-N
MW428.92 g/mol
LogP4.46
Rot. Bonds5

About 1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 41111642) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is 1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID41111642
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC Name1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1
InChIInChI=1S/C23H25ClN2O4/c1-29-16-8-10-21(30-2)17(14-16)19-5-3-12-26(19)23(28)15-7-9-18(24)20(13-15)25-11-4-6-22(25)27/h7-10,13-14,19H,3-6,11-12H2,1-2H3/t19-/m1/s1
InChIKeyNBTYVFJNCJRKHT-LJQANCHMSA-N
XLogP4.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(R)-methylsulfinyl]phenyl]methanone
CID 41328133
4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide
CID 56545543
1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 41307910
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 46525291
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
(3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636899
1-[2-chloro-5-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one
CID 43032465
3H-benzimidazol-5-yl-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 29364445

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 41111642) is 1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one is COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1.
What is the InChIKey of 1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is NBTYVFJNCJRKHT-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-29-16-8-10-21(30-2)17(14-16)19-5-3-12-26(19)23(28)15-7-9-18(24)20(13-15)25-11-4-6-22(25)27/h7-10,13-14,19H,3-6,11-12H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 428.92 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 41111642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).