N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

C18H23FN2O3 — CID 42164277

IUPACN-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1ccc(C[C@@]2(CCC(=O)NC3CC3)CCC(=O)N2)c(F)c1
InChIInChI=1S/C18H23FN2O3/c1-24-14-5-2-12(15(19)10-14)11-18(9-7-17(23)21-18)8-6-16(22)20-13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,20,22)(H,21,23)/t18-/m1/s1
InChIKeyFHDXOTXUCKWMOG-GOSISDBHSA-N
MW334.39 g/mol
LogP2.08
Rot. Bonds7

About N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 42164277) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
PubChem CID42164277
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1ccc(C[C@@]2(CCC(=O)NC3CC3)CCC(=O)N2)c(F)c1
InChIInChI=1S/C18H23FN2O3/c1-24-14-5-2-12(15(19)10-14)11-18(9-7-17(23)21-18)8-6-16(22)20-13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,20,22)(H,21,23)/t18-/m1/s1
InChIKeyFHDXOTXUCKWMOG-GOSISDBHSA-N
XLogP2.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-3-[(2S)-2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42238379
3-[(2R)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 26274935
5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45168482
(5S)-5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42372932
3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 45171932
(5R)-5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42406412
N-[(1-ethylpyrazol-4-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45169113
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42472264
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-[(2R)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42322234
N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45170829
3-[(2R)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide
CID 42434931
N-[(4-ethylphenyl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
CID 42163266

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (CID 42164277) is N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is COc1ccc(C[C@@]2(CCC(=O)NC3CC3)CCC(=O)N2)c(F)c1.
What is the InChIKey of N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is FHDXOTXUCKWMOG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-24-14-5-2-12(15(19)10-14)11-18(9-7-17(23)21-18)8-6-16(22)20-13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,20,22)(H,21,23)/t18-/m1/s1.
What are the key properties of N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 334.39 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 42164277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).