2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide

C18H19FN2O2 — CID 961046

IUPAC2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c19-17-4-2-1-3-16(17)18(22)20-15-7-5-14(6-8-15)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyASJRSTRSINEMRB-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.91
Rot. Bonds4

About 2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide

2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide (PubChem CID 961046) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
PubChem CID961046
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c19-17-4-2-1-3-16(17)18(22)20-15-7-5-14(6-8-15)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyASJRSTRSINEMRB-UHFFFAOYSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide (CID 961046) is 2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The InChIKey is ASJRSTRSINEMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-17-4-2-1-3-16(17)18(22)20-15-7-5-14(6-8-15)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22).
What are the key properties of 2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide has a molecular weight of 314.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 961046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).