2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

C28H23F8N3O2 — CID 90867765

IUPAC2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CC=C(NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H23F8N3O2/c29-21-5-1-17(2-6-21)26(18-3-7-22(30)8-4-18)41-38-23-9-11-39(12-10-23)16-25(40)37-24-14-19(27(31,32)33)13-20(15-24)28(34,35)36/h1-9,13-15,26,38H,10-12,16H2,(H,37,40)
InChIKeyPAFQHGRBRPNCQD-UHFFFAOYSA-N
MW585.50 g/mol
LogP6.84
Rot. Bonds8

About 2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 90867765) has the molecular formula C28H23F8N3O2 and a molecular weight of 585.50 g/mol. Its IUPAC name is 2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
PubChem CID90867765
Molecular FormulaC28H23F8N3O2
Molecular Weight585.50 g/mol
Exact Mass585.17
IUPAC Name2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CC=C(NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H23F8N3O2/c29-21-5-1-17(2-6-21)26(18-3-7-22(30)8-4-18)41-38-23-9-11-39(12-10-23)16-25(40)37-24-14-19(27(31,32)33)13-20(15-24)28(34,35)36/h1-9,13-15,26,38H,10-12,16H2,(H,37,40)
InChIKeyPAFQHGRBRPNCQD-UHFFFAOYSA-N
XLogP6.84
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.50
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
CID 123414938
1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907297
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801308
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 78870930
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 7022975
2-(4-benzyl-1,4-diazepan-1-yl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 16608496
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
N-(3,5-dimethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 27194413
N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3545581
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 37218704
N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337884

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (CID 90867765) is 2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is O=C(CN1CC=C(NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is PAFQHGRBRPNCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F8N3O2/c29-21-5-1-17(2-6-21)26(18-3-7-22(30)8-4-18)41-38-23-9-11-39(12-10-23)16-25(40)37-24-14-19(27(31,32)33)13-20(15-24)28(34,35)36/h1-9,13-15,26,38H,10-12,16H2,(H,37,40).
What are the key properties of 2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 585.50 g/mol, XLogP of 6.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90867765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).