2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide

C20H19F3N2O2 — CID 18125111

IUPAC2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1F)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H19F3N2O2/c1-12(20(27)24-17-7-6-16(21)18(22)19(17)23)25-10-8-14(9-11-25)13-2-4-15(26)5-3-13/h2-8,12,26H,9-11H2,1H3,(H,24,27)
InChIKeyUQZKVAZXGRJTFI-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.93
Rot. Bonds4

About 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide

2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 18125111) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID18125111
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1F)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H19F3N2O2/c1-12(20(27)24-17-7-6-16(21)18(22)19(17)23)25-10-8-14(9-11-25)13-2-4-15(26)5-3-13/h2-8,12,26H,9-11H2,1H3,(H,24,27)
InChIKeyUQZKVAZXGRJTFI-UHFFFAOYSA-N
XLogP3.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluorophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 24682332
N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 51282418
(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495119
N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 55470406
(2S)-2-(azocan-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 2655376
2-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 18078449
2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 56810586
(2S)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 8774110
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2655636
(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 8513088
(2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 8023118
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16599163

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide (CID 18125111) is 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide is CC(C(=O)Nc1ccc(F)c(F)c1F)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is UQZKVAZXGRJTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-12(20(27)24-17-7-6-16(21)18(22)19(17)23)25-10-8-14(9-11-25)13-2-4-15(26)5-3-13/h2-8,12,26H,9-11H2,1H3,(H,24,27).
What are the key properties of 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide?
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 376.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 18125111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).