3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide

C19H21FN2O3 — CID 111107185

IUPAC3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide
SMILESO=C(NCc1ccccc1CO)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H21FN2O3/c20-17-11-14(5-6-18(17)22-7-9-25-10-8-22)19(24)21-12-15-3-1-2-4-16(15)13-23/h1-6,11,23H,7-10,12-13H2,(H,21,24)
InChIKeyZWXTUXWQXAGPAW-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.08
Rot. Bonds5

About 3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide

3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide (PubChem CID 111107185) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide
PubChem CID111107185
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide
SMILESO=C(NCc1ccccc1CO)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H21FN2O3/c20-17-11-14(5-6-18(17)22-7-9-25-10-8-22)19(24)21-12-15-3-1-2-4-16(15)13-23/h1-6,11,23H,7-10,12-13H2,(H,21,24)
InChIKeyZWXTUXWQXAGPAW-UHFFFAOYSA-N
XLogP2.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide (CID 111107185) is 3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide is O=C(NCc1ccccc1CO)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide?
The InChIKey is ZWXTUXWQXAGPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-17-11-14(5-6-18(17)22-7-9-25-10-8-22)19(24)21-12-15-3-1-2-4-16(15)13-23/h1-6,11,23H,7-10,12-13H2,(H,21,24).
What are the key properties of 3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide?
3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide has a molecular weight of 344.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 111107185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).