2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide

C17H23BrFN3O3 — CID 55796389

IUPAC2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide
SMILESCC(CN1CCOCC1)NC(=O)CCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C17H23BrFN3O3/c1-12(11-22-6-8-25-9-7-22)21-16(23)4-5-20-17(24)14-10-13(19)2-3-15(14)18/h2-3,10,12H,4-9,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyLOBQGQUQSQDESC-UHFFFAOYSA-N
MW416.29 g/mol
LogP1.54
Rot. Bonds7

About 2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide

2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide (PubChem CID 55796389) has the molecular formula C17H23BrFN3O3 and a molecular weight of 416.29 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide
PubChem CID55796389
Molecular FormulaC17H23BrFN3O3
Molecular Weight416.29 g/mol
Exact Mass415.09
IUPAC Name2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide
SMILESCC(CN1CCOCC1)NC(=O)CCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C17H23BrFN3O3/c1-12(11-22-6-8-25-9-7-22)21-16(23)4-5-20-17(24)14-10-13(19)2-3-15(14)18/h2-3,10,12H,4-9,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyLOBQGQUQSQDESC-UHFFFAOYSA-N
XLogP1.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide (CID 55796389) is 2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide is CC(CN1CCOCC1)NC(=O)CCNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide?
The InChIKey is LOBQGQUQSQDESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFN3O3/c1-12(11-22-6-8-25-9-7-22)21-16(23)4-5-20-17(24)14-10-13(19)2-3-15(14)18/h2-3,10,12H,4-9,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide?
2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide has a molecular weight of 416.29 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 55796389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).