N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide

C17H21FN2O3 — CID 58241302

IUPACN-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(CC(=O)CCCc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H21FN2O3/c1-12(21)19-16-9-10-20(17(16)23)11-15(22)4-2-3-13-5-7-14(18)8-6-13/h5-8,16H,2-4,9-11H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyROAWSQBZKVJELG-INIZCTEOSA-N
MW320.36 g/mol
LogP1.45
Rot. Bonds7

About N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide

N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 58241302) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide
PubChem CID58241302
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC NameN-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(CC(=O)CCCc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H21FN2O3/c1-12(21)19-16-9-10-20(17(16)23)11-15(22)4-2-3-13-5-7-14(18)8-6-13/h5-8,16H,2-4,9-11H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyROAWSQBZKVJELG-INIZCTEOSA-N
XLogP1.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066411
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CID 70777047
2-(3,4-difluorophenyl)-N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 124852787
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 119048382
N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 124734504
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide
CID 126778104
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CID 49458586
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 126778112
N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide
CID 124841975
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide (CID 58241302) is N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN(CC(=O)CCCc2ccc(F)cc2)C1=O.
What is the InChIKey of N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is ROAWSQBZKVJELG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-12(21)19-16-9-10-20(17(16)23)11-15(22)4-2-3-13-5-7-14(18)8-6-13/h5-8,16H,2-4,9-11H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide?
N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 320.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 58241302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).