N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide

C21H23FN2O4 — CID 110367352

IUPACN-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CN(c3ccc(F)cc3)C(=O)CO2)cc1
InChIInChI=1S/C21H23FN2O4/c1-27-18-9-2-15(3-10-18)4-11-20(25)23-12-19-13-24(21(26)14-28-19)17-7-5-16(22)6-8-17/h2-3,5-10,19H,4,11-14H2,1H3,(H,23,25)
InChIKeyUQXBTFIAOCNRSX-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.32
Rot. Bonds7

About N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide

N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 110367352) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID110367352
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CN(c3ccc(F)cc3)C(=O)CO2)cc1
InChIInChI=1S/C21H23FN2O4/c1-27-18-9-2-15(3-10-18)4-11-20(25)23-12-19-13-24(21(26)14-28-19)17-7-5-16(22)6-8-17/h2-3,5-10,19H,4,11-14H2,1H3,(H,23,25)
InChIKeyUQXBTFIAOCNRSX-UHFFFAOYSA-N
XLogP2.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 16920833
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 16918778
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide
CID 110367688
4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367600
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110367863
3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 16919082
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide
CID 110367951
2-(4-ethoxyphenyl)-N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367721
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110328128
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367297
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367545
N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide
CID 110367217

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide (CID 110367352) is N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC2CN(c3ccc(F)cc3)C(=O)CO2)cc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is UQXBTFIAOCNRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-27-18-9-2-15(3-10-18)4-11-20(25)23-12-19-13-24(21(26)14-28-19)17-7-5-16(22)6-8-17/h2-3,5-10,19H,4,11-14H2,1H3,(H,23,25).
What are the key properties of N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide?
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 386.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110367352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).