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

C17H20FN3O2 — CID 72910014

IUPAC1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)CC1=O
InChIInChI=1S/C17H20FN3O2/c1-3-21-9-12(8-16(21)22)17(23)20(2)10-14-7-11-6-13(18)4-5-15(11)19-14/h4-7,12,19H,3,8-10H2,1-2H3
InChIKeyMHXQSYQLMWCNEN-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.13
Rot. Bonds4

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

1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 72910014) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID72910014
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)CC1=O
InChIInChI=1S/C17H20FN3O2/c1-3-21-9-12(8-16(21)22)17(23)20(2)10-14-7-11-6-13(18)4-5-15(11)19-14/h4-7,12,19H,3,8-10H2,1-2H3
InChIKeyMHXQSYQLMWCNEN-UHFFFAOYSA-N
XLogP2.13
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 72910014) is 1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)CC1=O.
What is the InChIKey of 1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MHXQSYQLMWCNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-3-21-9-12(8-16(21)22)17(23)20(2)10-14-7-11-6-13(18)4-5-15(11)19-14/h4-7,12,19H,3,8-10H2,1-2H3.
What are the key properties of 1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 72910014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).