3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide

C19H18FN3O2 — CID 5326870

IUPAC3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C19H18FN3O2/c20-15-9-14(11-17(12-15)23-5-7-25-8-6-23)19(24)22-16-1-2-18-13(10-16)3-4-21-18/h1-4,9-12,21H,5-8H2,(H,22,24)
InChIKeyVMLSXFMXUNVCSK-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.40
Rot. Bonds3

About 3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide

3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide (PubChem CID 5326870) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide
PubChem CID5326870
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C19H18FN3O2/c20-15-9-14(11-17(12-15)23-5-7-25-8-6-23)19(24)22-16-1-2-18-13(10-16)3-4-21-18/h1-4,9-12,21H,5-8H2,(H,22,24)
InChIKeyVMLSXFMXUNVCSK-UHFFFAOYSA-N
XLogP3.40
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide (CID 5326870) is 3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide is O=C(Nc1ccc2[nH]ccc2c1)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide?
The InChIKey is VMLSXFMXUNVCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-15-9-14(11-17(12-15)23-5-7-25-8-6-23)19(24)22-16-1-2-18-13(10-16)3-4-21-18/h1-4,9-12,21H,5-8H2,(H,22,24).
What are the key properties of 3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide?
3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide has a molecular weight of 339.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide is sourced from PubChem (CID 5326870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).