1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

C22H23ClN2O4 — CID 53177271

IUPAC1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)Cc3ccc(OC)c(Cl)c3)C1)C(=O)N2C
InChIInChI=1S/C22H23ClN2O4/c1-24-18-6-5-15(28-2)12-16(18)22(21(24)27)8-9-25(13-22)20(26)11-14-4-7-19(29-3)17(23)10-14/h4-7,10,12H,8-9,11,13H2,1-3H3
InChIKeyMFUVWIDKCKNJDZ-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.05
Rot. Bonds4

About 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177271) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53177271
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC Name1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)Cc3ccc(OC)c(Cl)c3)C1)C(=O)N2C
InChIInChI=1S/C22H23ClN2O4/c1-24-18-6-5-15(28-2)12-16(18)22(21(24)27)8-9-25(13-22)20(26)11-14-4-7-19(29-3)17(23)10-14/h4-7,10,12H,8-9,11,13H2,1-3H3
InChIKeyMFUVWIDKCKNJDZ-UHFFFAOYSA-N
XLogP3.05
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 53177271) is 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(C(=O)Cc3ccc(OC)c(Cl)c3)C1)C(=O)N2C.
What is the InChIKey of 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is MFUVWIDKCKNJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-24-18-6-5-15(28-2)12-16(18)22(21(24)27)8-9-25(13-22)20(26)11-14-4-7-19(29-3)17(23)10-14/h4-7,10,12H,8-9,11,13H2,1-3H3.
What are the key properties of 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 414.89 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).