N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide

C20H21FN2O3 — CID 42345548

IUPACN-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H21FN2O3/c1-26-18-8-4-15(5-9-18)20(25)22-17-12-19(24)23(13-17)11-10-14-2-6-16(21)7-3-14/h2-9,17H,10-13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyZSNNQFFAGOGNMV-KRWDZBQOSA-N
MW356.40 g/mol
LogP2.41
Rot. Bonds6

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

N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide (PubChem CID 42345548) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
PubChem CID42345548
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H21FN2O3/c1-26-18-8-4-15(5-9-18)20(25)22-17-12-19(24)23(13-17)11-10-14-2-6-16(21)7-3-14/h2-9,17H,10-13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyZSNNQFFAGOGNMV-KRWDZBQOSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 42475396
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 26335253
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
CID 25308070
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 42195544
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 42528068
N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 45246334
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 42189825
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
CID 95720923
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-propan-2-ylsulfanylacetamide
CID 95730256
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide (CID 42345548) is N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide?
The InChIKey is ZSNNQFFAGOGNMV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-26-18-8-4-15(5-9-18)20(25)22-17-12-19(24)23(13-17)11-10-14-2-6-16(21)7-3-14/h2-9,17H,10-13H2,1H3,(H,22,25)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide?
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide has a molecular weight of 356.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 42345548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).