N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide

C25H22F2N2O4 — CID 78150337

IUPACN-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1ccc(C2OCC(=O)N(Cc3ccccc3)C2CO)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C25H22F2N2O4/c26-19-10-18(11-20(27)12-19)25(32)28-21-8-6-17(7-9-21)24-22(14-30)29(23(31)15-33-24)13-16-4-2-1-3-5-16/h1-12,22,24,30H,13-15H2,(H,28,32)
InChIKeyZXEAEXUVRDCSDC-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.68
Rot. Bonds6

About N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide

N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide (PubChem CID 78150337) has the molecular formula C25H22F2N2O4 and a molecular weight of 452.46 g/mol. Its IUPAC name is N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
PubChem CID78150337
Molecular FormulaC25H22F2N2O4
Molecular Weight452.46 g/mol
Exact Mass452.15
IUPAC NameN-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1ccc(C2OCC(=O)N(Cc3ccccc3)C2CO)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C25H22F2N2O4/c26-19-10-18(11-20(27)12-19)25(32)28-21-8-6-17(7-9-21)24-22(14-30)29(23(31)15-33-24)13-16-4-2-1-3-5-16/h1-12,22,24,30H,13-15H2,(H,28,32)
InChIKeyZXEAEXUVRDCSDC-UHFFFAOYSA-N
XLogP3.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide?
The IUPAC name of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide (CID 78150337) is N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide is O=C(Nc1ccc(C2OCC(=O)N(Cc3ccccc3)C2CO)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide?
The InChIKey is ZXEAEXUVRDCSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O4/c26-19-10-18(11-20(27)12-19)25(32)28-21-8-6-17(7-9-21)24-22(14-30)29(23(31)15-33-24)13-16-4-2-1-3-5-16/h1-12,22,24,30H,13-15H2,(H,28,32).
What are the key properties of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide?
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide has a molecular weight of 452.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide is sourced from PubChem (CID 78150337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).