(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide

C20H20F2N2O — CID 9495119

IUPAC(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H20F2N2O/c1-14(20(25)23-19-8-7-17(21)13-18(19)22)24-11-9-16(10-12-24)15-5-3-2-4-6-15/h2-9,13-14H,10-12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyZWYLGIOMQNQTBG-AWEZNQCLSA-N
MW342.39 g/mol
LogP4.08
Rot. Bonds4

About (2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide

(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide (PubChem CID 9495119) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is (2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
PubChem CID9495119
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H20F2N2O/c1-14(20(25)23-19-8-7-17(21)13-18(19)22)24-11-9-16(10-12-24)15-5-3-2-4-6-15/h2-9,13-14H,10-12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyZWYLGIOMQNQTBG-AWEZNQCLSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-difluorophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 24682332
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 18125111
(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 8513088
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495104
N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 51282418
(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 9430606
(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851243
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 17487365
(2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495057
(2S)-N-(2,4-difluorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249053
bis(4-(4-fluorophenyl)-1-[1-(4-phenylphenyl)ethyl]-3,6-dihydro-2H-pyridine);oxalic acid
CID 174371552

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide (CID 9495119) is (2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide is C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The InChIKey is ZWYLGIOMQNQTBG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20F2N2O/c1-14(20(25)23-19-8-7-17(21)13-18(19)22)24-11-9-16(10-12-24)15-5-3-2-4-6-15/h2-9,13-14H,10-12H2,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide has a molecular weight of 342.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide is sourced from PubChem (CID 9495119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).