N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide

C21H22FN3 — CID 89378701

IUPACN'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide
SMILESC=C(C1=C(/N=C(\N)Cc2ccccc2)CCNC1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN3/c1-15(17-7-9-18(22)10-8-17)19-14-24-12-11-20(19)25-21(23)13-16-5-3-2-4-6-16/h2-10,24H,1,11-14H2,(H2,23,25)
InChIKeyCZFXOILBKYNOLZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.69
Rot. Bonds5

About N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide

N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide (PubChem CID 89378701) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide
PubChem CID89378701
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC NameN'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide
SMILESC=C(C1=C(/N=C(\N)Cc2ccccc2)CCNC1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN3/c1-15(17-7-9-18(22)10-8-17)19-14-24-12-11-20(19)25-21(23)13-16-5-3-2-4-6-16/h2-10,24H,1,11-14H2,(H2,23,25)
InChIKeyCZFXOILBKYNOLZ-UHFFFAOYSA-N
XLogP3.69
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4R,5S)-2-[(2-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11209712
(4R,5S)-2-[2-(2-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11416652
(4R,5S)-2-[(2,3-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11462177
(4R,5S)-2-[2-(3-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388772
(4R,5S)-2-[2-(4-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388773
(4R,5S)-2-[(3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388973
(4R,5S)-2-[(4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388975
(4R,5S)-2-[2-(3,4-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388990
(4R,5S)-2-[(3,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388991
CID 44419894
CID 44419894
N-benzhydryl-2,3,4,5-tetrahydropyridin-6-amine
CID 21163118
N,N'-Bis(1-phenylpropan-2-yl)ethanimidamide
CID 3046295

Frequently Asked Questions

What is the IUPAC name of N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide?
The IUPAC name of N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide (CID 89378701) is N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide.
What is the SMILES notation for N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide?
The canonical SMILES for N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide is C=C(C1=C(/N=C(\N)Cc2ccccc2)CCNC1)c1ccc(F)cc1.
What is the InChIKey of N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide?
The InChIKey is CZFXOILBKYNOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c1-15(17-7-9-18(22)10-8-17)19-14-24-12-11-20(19)25-21(23)13-16-5-3-2-4-6-16/h2-10,24H,1,11-14H2,(H2,23,25).
What are the key properties of N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide?
N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide has a molecular weight of 335.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-phenylethanimidamide is sourced from PubChem (CID 89378701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).