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

C20H21FN2O4 — CID 71693574

IUPACN-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1
InChIInChI=1S/C20H21FN2O4/c1-13(25)22-17-8-4-15(5-9-17)20-18(11-24)23(19(26)12-27-20)10-14-2-6-16(21)7-3-14/h2-9,18,20,24H,10-12H2,1H3,(H,22,25)/t18-,20-/m1/s1
InChIKeyPNWZAOGRRZWXCV-UYAOXDASSA-N
MW372.40 g/mol
LogP2.25
Rot. Bonds5

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

N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide (PubChem CID 71693574) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide
PubChem CID71693574
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC NameN-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1
InChIInChI=1S/C20H21FN2O4/c1-13(25)22-17-8-4-15(5-9-17)20-18(11-24)23(19(26)12-27-20)10-14-2-6-16(21)7-3-14/h2-9,18,20,24H,10-12H2,1H3,(H,22,25)/t18-,20-/m1/s1
InChIKeyPNWZAOGRRZWXCV-UYAOXDASSA-N
XLogP2.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide (CID 71693574) is N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1.
What is the InChIKey of N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide?
The InChIKey is PNWZAOGRRZWXCV-UYAOXDASSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-13(25)22-17-8-4-15(5-9-17)20-18(11-24)23(19(26)12-27-20)10-14-2-6-16(21)7-3-14/h2-9,18,20,24H,10-12H2,1H3,(H,22,25)/t18-,20-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide?
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide has a molecular weight of 372.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide is sourced from PubChem (CID 71693574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).