N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C19H21F3N2O2 — CID 118507134

IUPACN-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESC=C1/C=C\C=N\CC(NC(=O)COc2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C19H21F3N2O2/c1-14-4-2-6-16(12-23-11-3-5-14)24-18(25)13-26-17-9-7-15(8-10-17)19(20,21)22/h3,5,7-11,16H,1-2,4,6,12-13H2,(H,24,25)/b5-3-,23-11+
InChIKeyLZTXVCXQWHYRCF-DXLKAVKHSA-N
MW366.38 g/mol
LogP3.94
Rot. Bonds4

About N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 118507134) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID118507134
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC NameN-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESC=C1/C=C\C=N\CC(NC(=O)COc2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C19H21F3N2O2/c1-14-4-2-6-16(12-23-11-3-5-14)24-18(25)13-26-17-9-7-15(8-10-17)19(20,21)22/h3,5,7-11,16H,1-2,4,6,12-13H2,(H,24,25)/b5-3-,23-11+
InChIKeyLZTXVCXQWHYRCF-DXLKAVKHSA-N
XLogP3.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 147640243
N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 47910347
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 119611391
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide
CID 90021284
2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55708412
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 71939910
2-(4-tert-butylphenoxy)-N-piperidin-3-ylacetamide
CID 119428082
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426

Frequently Asked Questions

What is the IUPAC name of N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 118507134) is N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is C=C1/C=C\C=N\CC(NC(=O)COc2ccc(C(F)(F)F)cc2)CCC1.
What is the InChIKey of N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is LZTXVCXQWHYRCF-DXLKAVKHSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-14-4-2-6-16(12-23-11-3-5-14)24-18(25)13-26-17-9-7-15(8-10-17)19(20,21)22/h3,5,7-11,16H,1-2,4,6,12-13H2,(H,24,25)/b5-3-,23-11+.
What are the key properties of N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 366.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 118507134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).