3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide

C22H25FN2O4 — CID 71693316

IUPAC3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide
SMILESCC(C)CN1C(=O)CO[C@H](c2ccc(NC(=O)c3cccc(F)c3)cc2)[C@H]1CO
InChIInChI=1S/C22H25FN2O4/c1-14(2)11-25-19(12-26)21(29-13-20(25)27)15-6-8-18(9-7-15)24-22(28)16-4-3-5-17(23)10-16/h3-10,14,19,21,26H,11-13H2,1-2H3,(H,24,28)/t19-,21-/m1/s1
InChIKeyGOJMVFIRLWVIOT-TZIWHRDSSA-N
MW400.45 g/mol
LogP2.99
Rot. Bonds6

About 3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide

3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide (PubChem CID 71693316) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide
PubChem CID71693316
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide
SMILESCC(C)CN1C(=O)CO[C@H](c2ccc(NC(=O)c3cccc(F)c3)cc2)[C@H]1CO
InChIInChI=1S/C22H25FN2O4/c1-14(2)11-25-19(12-26)21(29-13-20(25)27)15-6-8-18(9-7-15)24-22(28)16-4-3-5-17(23)10-16/h3-10,14,19,21,26H,11-13H2,1-2H3,(H,24,28)/t19-,21-/m1/s1
InChIKeyGOJMVFIRLWVIOT-TZIWHRDSSA-N
XLogP2.99
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693319
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
CID 78150375
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150368
3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide
CID 78150695
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
CID 78150337
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]cyclopentanecarboxamide
CID 78150380
3,5-difluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]benzamide
CID 71693463
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693590
N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 71693477
3-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide
CID 78150445
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2,2-dimethylpropanamide
CID 71693600
1-(4-fluorophenyl)-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150676

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide (CID 71693316) is 3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide is CC(C)CN1C(=O)CO[C@H](c2ccc(NC(=O)c3cccc(F)c3)cc2)[C@H]1CO.
What is the InChIKey of 3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide?
The InChIKey is GOJMVFIRLWVIOT-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-14(2)11-25-19(12-26)21(29-13-20(25)27)15-6-8-18(9-7-15)24-22(28)16-4-3-5-17(23)10-16/h3-10,14,19,21,26H,11-13H2,1-2H3,(H,24,28)/t19-,21-/m1/s1.
What are the key properties of 3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide?
3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide has a molecular weight of 400.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide is sourced from PubChem (CID 71693316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).