N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide

C17H18FN3O3 — CID 98343615

IUPACN-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide
SMILESCC(C)N1C(=O)C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1=O
InChIInChI=1S/C17H18FN3O3/c1-9(2)21-16(23)7-14(17(21)24)20-15(22)5-10-8-19-13-4-3-11(18)6-12(10)13/h3-4,6,8-9,14,19H,5,7H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyVANFHFQTFVDMRS-AWEZNQCLSA-N
MW331.35 g/mol
LogP1.50
Rot. Bonds4

About N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide

N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide (PubChem CID 98343615) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide
PubChem CID98343615
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide
SMILESCC(C)N1C(=O)C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1=O
InChIInChI=1S/C17H18FN3O3/c1-9(2)21-16(23)7-14(17(21)24)20-15(22)5-10-8-19-13-4-3-11(18)6-12(10)13/h3-4,6,8-9,14,19H,5,7H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyVANFHFQTFVDMRS-AWEZNQCLSA-N
XLogP1.50
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
(3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 42562425
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110700238
2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425118
N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 98218270
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209328

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide (CID 98343615) is N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide is CC(C)N1C(=O)C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1=O.
What is the InChIKey of N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The InChIKey is VANFHFQTFVDMRS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-9(2)21-16(23)7-14(17(21)24)20-15(22)5-10-8-19-13-4-3-11(18)6-12(10)13/h3-4,6,8-9,14,19H,5,7H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 331.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 98343615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).