5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide

C29H34F2N4O7 — CID 154659319

IUPAC5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide
SMILESCOCCOCCOCCN(C)C(=O)c1cc2cc(N3CCC(O)(C(=O)NCc4cc(F)cc(F)c4)C3=O)ccc2[nH]1
InChIInChI=1S/C29H34F2N4O7/c1-34(7-8-41-11-12-42-10-9-40-2)26(36)25-16-20-15-23(3-4-24(20)33-25)35-6-5-29(39,28(35)38)27(37)32-18-19-13-21(30)17-22(31)14-19/h3-4,13-17,33,39H,5-12,18H2,1-2H3,(H,32,37)
InChIKeyTWFKJDJQHQOPFM-UHFFFAOYSA-N
MW588.61 g/mol
LogP1.98
Rot. Bonds14

About 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide

5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 154659319) has the molecular formula C29H34F2N4O7 and a molecular weight of 588.61 g/mol. Its IUPAC name is 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide
PubChem CID154659319
Molecular FormulaC29H34F2N4O7
Molecular Weight588.61 g/mol
Exact Mass588.24
IUPAC Name5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide
SMILESCOCCOCCOCCN(C)C(=O)c1cc2cc(N3CCC(O)(C(=O)NCc4cc(F)cc(F)c4)C3=O)ccc2[nH]1
InChIInChI=1S/C29H34F2N4O7/c1-34(7-8-41-11-12-42-10-9-40-2)26(36)25-16-20-15-23(3-4-24(20)33-25)35-6-5-29(39,28(35)38)27(37)32-18-19-13-21(30)17-22(31)14-19/h3-4,13-17,33,39H,5-12,18H2,1-2H3,(H,32,37)
InChIKeyTWFKJDJQHQOPFM-UHFFFAOYSA-N
XLogP1.98
TPSA133.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.61
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide (CID 154659319) is 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide is COCCOCCOCCN(C)C(=O)c1cc2cc(N3CCC(O)(C(=O)NCc4cc(F)cc(F)c4)C3=O)ccc2[nH]1.
What is the InChIKey of 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is TWFKJDJQHQOPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N4O7/c1-34(7-8-41-11-12-42-10-9-40-2)26(36)25-16-20-15-23(3-4-24(20)33-25)35-6-5-29(39,28(35)38)27(37)32-18-19-13-21(30)17-22(31)14-19/h3-4,13-17,33,39H,5-12,18H2,1-2H3,(H,32,37).
What are the key properties of 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide?
5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 588.61 g/mol, XLogP of 1.98, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 154659319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).