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

C18H22FN3O2 — CID 124841948

IUPAC(3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CC(=O)N(C)C1(C)C
InChIInChI=1S/C18H22FN3O2/c1-18(2)14(9-16(23)22(18)4)17(24)21(3)10-13-8-11-7-12(19)5-6-15(11)20-13/h5-8,14,20H,9-10H2,1-4H3/t14-/m0/s1
InChIKeyBIMCKAUNAXMRPU-AWEZNQCLSA-N
MW331.39 g/mol
LogP2.52
Rot. Bonds3

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

(3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 124841948) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is (3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID124841948
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name(3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CC(=O)N(C)C1(C)C
InChIInChI=1S/C18H22FN3O2/c1-18(2)14(9-16(23)22(18)4)17(24)21(3)10-13-8-11-7-12(19)5-6-15(11)20-13/h5-8,14,20H,9-10H2,1-4H3/t14-/m0/s1
InChIKeyBIMCKAUNAXMRPU-AWEZNQCLSA-N
XLogP2.52
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide (CID 124841948) is (3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide is CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CC(=O)N(C)C1(C)C.
What is the InChIKey of (3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BIMCKAUNAXMRPU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-18(2)14(9-16(23)22(18)4)17(24)21(3)10-13-8-11-7-12(19)5-6-15(11)20-13/h5-8,14,20H,9-10H2,1-4H3/t14-/m0/s1.
What are the key properties of (3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N,1,2,2-tetramethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124841948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).