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

C25H23FN2O4 — CID 56774641

IUPACN-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)c1ccccc1
InChIInChI=1S/C25H23FN2O4/c26-21-9-5-4-8-19(21)14-28-22(15-32-16-23(28)29)24(30)17-10-12-20(13-11-17)27-25(31)18-6-2-1-3-7-18/h1-13,22,24,30H,14-16H2,(H,27,31)/t22-,24-/m1/s1
InChIKeyGFYMWENVFZKBPT-ISKFKSNPSA-N
MW434.47 g/mol
LogP3.54
Rot. Bonds6

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

N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide (PubChem CID 56774641) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide
PubChem CID56774641
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC NameN-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)c1ccccc1
InChIInChI=1S/C25H23FN2O4/c26-21-9-5-4-8-19(21)14-28-22(15-32-16-23(28)29)24(30)17-10-12-20(13-11-17)27-25(31)18-6-2-1-3-7-18/h1-13,22,24,30H,14-16H2,(H,27,31)/t22-,24-/m1/s1
InChIKeyGFYMWENVFZKBPT-ISKFKSNPSA-N
XLogP3.54
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide?
The IUPAC name of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide (CID 56774641) is N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide?
The canonical SMILES for N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide is O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide?
The InChIKey is GFYMWENVFZKBPT-ISKFKSNPSA-N. The full InChI is InChI=1S/C25H23FN2O4/c26-21-9-5-4-8-19(21)14-28-22(15-32-16-23(28)29)24(30)17-10-12-20(13-11-17)27-25(31)18-6-2-1-3-7-18/h1-13,22,24,30H,14-16H2,(H,27,31)/t22-,24-/m1/s1.
What are the key properties of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide?
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide has a molecular weight of 434.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide is sourced from PubChem (CID 56774641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).