(3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide

C21H22FN3O4 — CID 95104291

IUPAC(3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCOc1ccc2c(c1)[C@@]1(CCN(C(=O)Nc3ccc(OC)c(F)c3)C1)C(=O)N2C
InChIInChI=1S/C21H22FN3O4/c1-24-17-6-5-14(28-2)11-15(17)21(19(24)26)8-9-25(12-21)20(27)23-13-4-7-18(29-3)16(22)10-13/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,27)/t21-/m0/s1
InChIKeyXPYJSBIFIRUWTJ-NRFANRHFSA-N
MW399.42 g/mol
LogP2.99
Rot. Bonds3

About (3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide

(3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 95104291) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is (3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID95104291
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name(3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCOc1ccc2c(c1)[C@@]1(CCN(C(=O)Nc3ccc(OC)c(F)c3)C1)C(=O)N2C
InChIInChI=1S/C21H22FN3O4/c1-24-17-6-5-14(28-2)11-15(17)21(19(24)26)8-9-25(12-21)20(27)23-13-4-7-18(29-3)16(22)10-13/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,27)/t21-/m0/s1
InChIKeyXPYJSBIFIRUWTJ-NRFANRHFSA-N
XLogP2.99
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177321
N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177325
(3S)-5-methoxy-N-(2-methoxyethyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104286
(3R)-1'-(4-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104137
(3S)-5-methoxy-1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104122
(3S)-1'-(3,5-dimethoxybenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104144
1-[(3-fluoro-4-methoxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149656
1'-(cyclopentanecarbonyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177264
(3R)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104175
(3R)-N-(2-methoxyphenyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104057
(3S)-5-methoxy-1-methyl-1'-(thiophene-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95104114
5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 53177255

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of (3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide (CID 95104291) is (3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for (3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for (3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide is COc1ccc2c(c1)[C@@]1(CCN(C(=O)Nc3ccc(OC)c(F)c3)C1)C(=O)N2C.
What is the InChIKey of (3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is XPYJSBIFIRUWTJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-24-17-6-5-14(28-2)11-15(17)21(19(24)26)8-9-25(12-21)20(27)23-13-4-7-18(29-3)16(22)10-13/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,27)/t21-/m0/s1.
What are the key properties of (3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide?
(3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 95104291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).