N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide

C17H22FN3O3 — CID 141247804

IUPACN-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CC(c2ccc(N3CCOCC3)c(F)c2)C(=O)N1
InChIInChI=1S/C17H22FN3O3/c1-11(22)19-10-13-9-14(17(23)20-13)12-2-3-16(15(18)8-12)21-4-6-24-7-5-21/h2-3,8,13-14H,4-7,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyXGNZDTCBBAYJGZ-UHFFFAOYSA-N
MW335.38 g/mol
LogP0.77
Rot. Bonds4

About N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide

N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide (PubChem CID 141247804) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide
PubChem CID141247804
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC NameN-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CC(c2ccc(N3CCOCC3)c(F)c2)C(=O)N1
InChIInChI=1S/C17H22FN3O3/c1-11(22)19-10-13-9-14(17(23)20-13)12-2-3-16(15(18)8-12)21-4-6-24-7-5-21/h2-3,8,13-14H,4-7,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyXGNZDTCBBAYJGZ-UHFFFAOYSA-N
XLogP0.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide
CID 141244329
N-[[(4S)-4-[4-[4-(1,1-dioxothietan-3-yl)piperidin-1-yl]-3-fluorophenyl]-5-oxopyrrolidin-2-yl]methyl]cyclopropanecarboxamide
CID 156695826
N-[[(4S)-4-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-5-oxopyrrolidin-2-yl]methyl]butanamide
CID 156695832
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-4-hydroxy-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 170454918
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;1,3-oxazolidin-2-one
CID 68810299
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 143585924
ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide
CID 143554302
N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide
CID 139816110
N-[[3-[3-fluoro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462598
(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 158962850
N-[[(2R)-4-[4-[4-(2-cyanoethyl)piperazin-1-yl]-3-fluorophenyl]-5-oxooxolan-2-yl]methyl]acetamide
CID 67654629

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide (CID 141247804) is N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide is CC(=O)NCC1CC(c2ccc(N3CCOCC3)c(F)c2)C(=O)N1.
What is the InChIKey of N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide?
The InChIKey is XGNZDTCBBAYJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-11(22)19-10-13-9-14(17(23)20-13)12-2-3-16(15(18)8-12)21-4-6-24-7-5-21/h2-3,8,13-14H,4-7,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide?
N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide has a molecular weight of 335.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 141247804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).