1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C19H24FN3O2 — CID 70775052

IUPAC1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C19H24FN3O2/c1-19(2,3)23-10-13(9-17(23)24)18(25)22(4)11-15-8-12-7-14(20)5-6-16(12)21-15/h5-8,13,21H,9-11H2,1-4H3
InChIKeyMTQPPMADNMFIAQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.91
Rot. Bonds3

About 1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 70775052) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID70775052
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C19H24FN3O2/c1-19(2,3)23-10-13(9-17(23)24)18(25)22(4)11-15-8-12-7-14(20)5-6-16(12)21-15/h5-8,13,21H,9-11H2,1-4H3
InChIKeyMTQPPMADNMFIAQ-UHFFFAOYSA-N
XLogP2.91
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 70775052) is 1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MTQPPMADNMFIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-19(2,3)23-10-13(9-17(23)24)18(25)22(4)11-15-8-12-7-14(20)5-6-16(12)21-15/h5-8,13,21H,9-11H2,1-4H3.
What are the key properties of 1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70775052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).