2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide

C14H7F8N3O2 — CID 130387825

IUPAC2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
SMILESO=C(CNOc1c(F)c(F)c(F)c(F)c1F)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C14H7F8N3O2/c15-8-9(16)11(18)13(12(19)10(8)17)27-24-4-7(26)25-5-1-2-23-6(3-5)14(20,21)22/h1-3,24H,4H2,(H,23,25,26)
InChIKeyKPAGPACBESZMCI-UHFFFAOYSA-N
MW401.21 g/mol
LogP3.32
Rot. Bonds5

About 2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide

2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide (PubChem CID 130387825) has the molecular formula C14H7F8N3O2 and a molecular weight of 401.21 g/mol. Its IUPAC name is 2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
PubChem CID130387825
Molecular FormulaC14H7F8N3O2
Molecular Weight401.21 g/mol
Exact Mass401.04
IUPAC Name2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
SMILESO=C(CNOc1c(F)c(F)c(F)c(F)c1F)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C14H7F8N3O2/c15-8-9(16)11(18)13(12(19)10(8)17)27-24-4-7(26)25-5-1-2-23-6(3-5)14(20,21)22/h1-3,24H,4H2,(H,23,25,26)
InChIKeyKPAGPACBESZMCI-UHFFFAOYSA-N
XLogP3.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.21
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439
6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide
CID 118730959
S-(naphthalen-1-yloxymethyl) N-[2-(trifluoromethyl)-4-pyridinyl]carbamothioate
CID 170235546
2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol
CID 162732154
3-(4-bromo-3-methylphenoxy)-2,2,3-trimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]butanamide
CID 162732177
N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
CID 36723676
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082
2-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79235104
(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid
CID 122049884
3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
CID 118295593
2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 163252999

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide?
The IUPAC name of 2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide (CID 130387825) is 2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide.
What is the SMILES notation for 2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide?
The canonical SMILES for 2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide is O=C(CNOc1c(F)c(F)c(F)c(F)c1F)Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide?
The InChIKey is KPAGPACBESZMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F8N3O2/c15-8-9(16)11(18)13(12(19)10(8)17)27-24-4-7(26)25-5-1-2-23-6(3-5)14(20,21)22/h1-3,24H,4H2,(H,23,25,26).
What are the key properties of 2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide?
2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide has a molecular weight of 401.21 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide is sourced from PubChem (CID 130387825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).