N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide

C20H24F3N2O6P — CID 14030482

IUPACN-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
SMILESCCOP(=O)(CNC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)OCC
InChIInChI=1S/C20H24F3N2O6P/c1-4-28-32(27,29-5-2)13-25-19(26)14(3)30-16-7-9-17(10-8-16)31-18-11-6-15(12-24-18)20(21,22)23/h6-12,14H,4-5,13H2,1-3H3,(H,25,26)
InChIKeyYWKBXYNNFDQIFY-UHFFFAOYSA-N
MW476.39 g/mol
LogP5.00
Rot. Bonds11

About N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide

N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide (PubChem CID 14030482) has the molecular formula C20H24F3N2O6P and a molecular weight of 476.39 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
PubChem CID14030482
Molecular FormulaC20H24F3N2O6P
Molecular Weight476.39 g/mol
Exact Mass476.13
IUPAC NameN-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
SMILESCCOP(=O)(CNC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)OCC
InChIInChI=1S/C20H24F3N2O6P/c1-4-28-32(27,29-5-2)13-25-19(26)14(3)30-16-7-9-17(10-8-16)31-18-11-6-15(12-24-18)20(21,22)23/h6-12,14H,4-5,13H2,1-3H3,(H,25,26)
InChIKeyYWKBXYNNFDQIFY-UHFFFAOYSA-N
XLogP5.00
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-(diethoxyphosphorylmethyl)propanamide
CID 14030479
diethoxyphosphorylmethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 13325076
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
ethyl (Z)-3-(ethylamino)-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pent-2-enoate
CID 70489776
2-[2,3,5,6-tetradeuterio-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid
CID 12877616
ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176629
N'-[2-(2-ethoxyphenoxy)acetyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzohydrazide
CID 24532076
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 78824297
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol
CID 86623917

Frequently Asked Questions

What is the IUPAC name of N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide?
The IUPAC name of N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide (CID 14030482) is N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide?
The canonical SMILES for N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide is CCOP(=O)(CNC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)OCC.
What is the InChIKey of N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide?
The InChIKey is YWKBXYNNFDQIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N2O6P/c1-4-28-32(27,29-5-2)13-25-19(26)14(3)30-16-7-9-17(10-8-16)31-18-11-6-15(12-24-18)20(21,22)23/h6-12,14H,4-5,13H2,1-3H3,(H,25,26).
What are the key properties of N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide?
N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide has a molecular weight of 476.39 g/mol, XLogP of 5.00, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide is sourced from PubChem (CID 14030482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).