N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide

C22H25FN2O4 — CID 78150625

IUPACN-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C2OCC(=O)N(Cc3ccc(F)cc3)C2CO)cc1
InChIInChI=1S/C22H25FN2O4/c1-2-3-20(27)24-18-10-6-16(7-11-18)22-19(13-26)25(21(28)14-29-22)12-15-4-8-17(23)9-5-15/h4-11,19,22,26H,2-3,12-14H2,1H3,(H,24,27)
InChIKeyXXPCVGGUQIMSMZ-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.03
Rot. Bonds7

About N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide

N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide (PubChem CID 78150625) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide
PubChem CID78150625
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC NameN-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C2OCC(=O)N(Cc3ccc(F)cc3)C2CO)cc1
InChIInChI=1S/C22H25FN2O4/c1-2-3-20(27)24-18-10-6-16(7-11-18)22-19(13-26)25(21(28)14-29-22)12-15-4-8-17(23)9-5-15/h4-11,19,22,26H,2-3,12-14H2,1H3,(H,24,27)
InChIKeyXXPCVGGUQIMSMZ-UHFFFAOYSA-N
XLogP3.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2,2-dimethylpropanamide
CID 71693600
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693590
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
CID 78150337
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide
CID 78150565
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150317
3,5-difluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]benzamide
CID 71693463
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 78150569
1-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-tert-butylurea
CID 71693270
2-ethyl-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]butanamide
CID 71693450
5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021057
1-(4-fluorophenyl)-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150676
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
CID 78150332

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide?
The IUPAC name of N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide (CID 78150625) is N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide.
What is the SMILES notation for N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide?
The canonical SMILES for N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide is CCCC(=O)Nc1ccc(C2OCC(=O)N(Cc3ccc(F)cc3)C2CO)cc1.
What is the InChIKey of N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide?
The InChIKey is XXPCVGGUQIMSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-2-3-20(27)24-18-10-6-16(7-11-18)22-19(13-26)25(21(28)14-29-22)12-15-4-8-17(23)9-5-15/h4-11,19,22,26H,2-3,12-14H2,1H3,(H,24,27).
What are the key properties of N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide?
N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide has a molecular weight of 400.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide is sourced from PubChem (CID 78150625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).