3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide

C18H17FN2O2 — CID 110777137

IUPAC3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
SMILESCN1C(=O)Cc2cc(NC(=O)CCc3ccc(F)cc3)ccc21
InChIInChI=1S/C18H17FN2O2/c1-21-16-8-7-15(10-13(16)11-18(21)23)20-17(22)9-4-12-2-5-14(19)6-3-12/h2-3,5-8,10H,4,9,11H2,1H3,(H,20,22)
InChIKeyXVZQLEBOEIYNKK-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.92
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide

3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide (PubChem CID 110777137) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
PubChem CID110777137
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
SMILESCN1C(=O)Cc2cc(NC(=O)CCc3ccc(F)cc3)ccc21
InChIInChI=1S/C18H17FN2O2/c1-21-16-8-7-15(10-13(16)11-18(21)23)20-17(22)9-4-12-2-5-14(19)6-3-12/h2-3,5-8,10H,4,9,11H2,1H3,(H,20,22)
InChIKeyXVZQLEBOEIYNKK-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate
CID 110777123
N-(4-acetamidophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768364
2-(2-fluorophenoxy)-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 18570797
1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342517
2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
CID 99842043
3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide
CID 115153965
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
CID 115194357
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl bromide
CID 115193255
methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805084
N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide
CID 91624454
2-(1,3-dioxoisoindol-2-yl)-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 27421729
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110788570

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide (CID 110777137) is 3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide is CN1C(=O)Cc2cc(NC(=O)CCc3ccc(F)cc3)ccc21.
What is the InChIKey of 3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide?
The InChIKey is XVZQLEBOEIYNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-21-16-8-7-15(10-13(16)11-18(21)23)20-17(22)9-4-12-2-5-14(19)6-3-12/h2-3,5-8,10H,4,9,11H2,1H3,(H,20,22).
What are the key properties of 3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide?
3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide has a molecular weight of 312.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide is sourced from PubChem (CID 110777137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).