5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one

C21H17FN2O2 — CID 44827555

IUPAC5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one
SMILESO=C(c1ccc(=O)n(Cc2ccccc2F)c1)N1CCc2ccccc21
InChIInChI=1S/C21H17FN2O2/c22-18-7-3-1-6-16(18)13-23-14-17(9-10-20(23)25)21(26)24-12-11-15-5-2-4-8-19(15)24/h1-10,14H,11-13H2
InChIKeyPCLJWCFNOKRNEM-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.24
Rot. Bonds3

About 5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one

5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one (PubChem CID 44827555) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one
PubChem CID44827555
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one
SMILESO=C(c1ccc(=O)n(Cc2ccccc2F)c1)N1CCc2ccccc21
InChIInChI=1S/C21H17FN2O2/c22-18-7-3-1-6-16(18)13-23-14-17(9-10-20(23)25)21(26)24-12-11-15-5-2-4-8-19(15)24/h1-10,14H,11-13H2
InChIKeyPCLJWCFNOKRNEM-UHFFFAOYSA-N
XLogP3.24
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-5-(2,3-dihydroindole-1-carbonyl)pyridin-2-one
CID 26843891
4-(2,3-dihydroindole-1-carbonyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 109047185
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926283
2,3-dihydroindol-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762714
2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
CID 109172543
N-(2-chlorophenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26844026
3-(2,3-dihydroindol-1-ylmethyl)-4-fluorobenzoic acid
CID 63074922
2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985213
1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
CID 109000166
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one (CID 44827555) is 5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one is O=C(c1ccc(=O)n(Cc2ccccc2F)c1)N1CCc2ccccc21.
What is the InChIKey of 5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is PCLJWCFNOKRNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-18-7-3-1-6-16(18)13-23-14-17(9-10-20(23)25)21(26)24-12-11-15-5-2-4-8-19(15)24/h1-10,14H,11-13H2.
What are the key properties of 5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one?
5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 348.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindole-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 44827555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).