4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide

C21H23FN2O3 — CID 3593511

IUPAC4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide
SMILESNC(=O)c1ccc(OCCC(O)N2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H23FN2O3/c22-18-5-1-15(2-6-18)16-9-12-24(13-10-16)20(25)11-14-27-19-7-3-17(4-8-19)21(23)26/h1-9,20,25H,10-14H2,(H2,23,26)
InChIKeyLDKDSVXYORIIBQ-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.80
Rot. Bonds7

About 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide

4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide (PubChem CID 3593511) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide
PubChem CID3593511
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide
SMILESNC(=O)c1ccc(OCCC(O)N2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H23FN2O3/c22-18-5-1-15(2-6-18)16-9-12-24(13-10-16)20(25)11-14-27-19-7-3-17(4-8-19)21(23)26/h1-9,20,25H,10-14H2,(H2,23,26)
InChIKeyLDKDSVXYORIIBQ-UHFFFAOYSA-N
XLogP2.80
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide (CID 3593511) is 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide is NC(=O)c1ccc(OCCC(O)N2CC=C(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide?
The InChIKey is LDKDSVXYORIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-18-5-1-15(2-6-18)16-9-12-24(13-10-16)20(25)11-14-27-19-7-3-17(4-8-19)21(23)26/h1-9,20,25H,10-14H2,(H2,23,26).
What are the key properties of 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide?
4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide has a molecular weight of 370.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide is sourced from PubChem (CID 3593511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).