phenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone

C20H19F3N2O2 — CID 91137670

IUPACphenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)17-8-4-5-15(13-17)14-27-24-18-9-11-25(12-10-18)19(26)16-6-2-1-3-7-16/h1-9,13,24H,10-12,14H2
InChIKeyNWOPTLNXZRCECY-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.16
Rot. Bonds5

About phenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone

phenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 91137670) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is phenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID91137670
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Namephenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)17-8-4-5-15(13-17)14-27-24-18-9-11-25(12-10-18)19(26)16-6-2-1-3-7-16/h1-9,13,24H,10-12,14H2
InChIKeyNWOPTLNXZRCECY-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 42925910
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N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide
CID 4206436
N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide
CID 53248116
N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide
CID 53248121
3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide
CID 22050182
N-[2-oxo-2-[[(3R)-1-(4-phenylmethoxyiminocyclohexyl)pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 46841932
1-Benzoylpiperidin-4-one O-(3-trifluoromethylbenzyl)oxime
CID 57992739
N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 67786533
N-(benzyloxy)-6-(1-oxo-4-(4-(trifluoromethyl)phenyl)isoindolin-2-yl)hexanamide
CID 86663230
6-[7-(3,5-difluorophenyl)-3-oxo-1H-isoindol-2-yl]-N-phenylmethoxyhexanamide
CID 87109245
6-[3-oxo-6-(2,3,4-trifluoro-4-methylcyclohexa-2,5-dien-1-yl)-1H-isoindol-2-yl]-N-phenylmethoxyhexanamide
CID 87109349

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of phenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 91137670) is phenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1ccccc1)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of phenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is NWOPTLNXZRCECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)17-8-4-5-15(13-17)14-27-24-18-9-11-25(12-10-18)19(26)16-6-2-1-3-7-16/h1-9,13,24H,10-12,14H2.
What are the key properties of phenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone?
phenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 376.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 91137670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).