3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide

C19H18F2N2O4 — CID 78150695

IUPAC3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide
SMILESCN1C(=O)COC(c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)C1CO
InChIInChI=1S/C19H18F2N2O4/c1-23-16(9-24)18(27-10-17(23)25)11-2-4-15(5-3-11)22-19(26)12-6-13(20)8-14(21)7-12/h2-8,16,18,24H,9-10H2,1H3,(H,22,26)
InChIKeyBVKFOAGHEXXJLZ-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.11
Rot. Bonds4

About 3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide

3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide (PubChem CID 78150695) has the molecular formula C19H18F2N2O4 and a molecular weight of 376.36 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide
PubChem CID78150695
Molecular FormulaC19H18F2N2O4
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Name3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide
SMILESCN1C(=O)COC(c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)C1CO
InChIInChI=1S/C19H18F2N2O4/c1-23-16(9-24)18(27-10-17(23)25)11-2-4-15(5-3-11)22-19(26)12-6-13(20)8-14(21)7-12/h2-8,16,18,24H,9-10H2,1H3,(H,22,26)
InChIKeyBVKFOAGHEXXJLZ-UHFFFAOYSA-N
XLogP2.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-3,5-difluorobenzamide
CID 78150337
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-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 78150669
3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide
CID 71693316
1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea
CID 78150679
1-benzyl-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150664
N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
CID 78150686
N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 71693477
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-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide
CID 78150625

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide (CID 78150695) is 3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide is CN1C(=O)COC(c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)C1CO.
What is the InChIKey of 3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide?
The InChIKey is BVKFOAGHEXXJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O4/c1-23-16(9-24)18(27-10-17(23)25)11-2-4-15(5-3-11)22-19(26)12-6-13(20)8-14(21)7-12/h2-8,16,18,24H,9-10H2,1H3,(H,22,26).
What are the key properties of 3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide?
3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide has a molecular weight of 376.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide is sourced from PubChem (CID 78150695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).