N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C16H13Cl2F3N2O3 — CID 22006727

IUPACN-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H13Cl2F3N2O3/c17-11-6-10(24)7-12(18)14(11)26-5-1-4-22-15(25)13-3-2-9(8-23-13)16(19,20)21/h2-3,6-8,24H,1,4-5H2,(H,22,25)
InChIKeyOIXFLANIHYHGGN-UHFFFAOYSA-N
MW409.19 g/mol
LogP4.31
Rot. Bonds6

About N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 22006727) has the molecular formula C16H13Cl2F3N2O3 and a molecular weight of 409.19 g/mol. Its IUPAC name is N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID22006727
Molecular FormulaC16H13Cl2F3N2O3
Molecular Weight409.19 g/mol
Exact Mass408.03
IUPAC NameN-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H13Cl2F3N2O3/c17-11-6-10(24)7-12(18)14(11)26-5-1-4-22-15(25)13-3-2-9(8-23-13)16(19,20)21/h2-3,6-8,24H,1,4-5H2,(H,22,25)
InChIKeyOIXFLANIHYHGGN-UHFFFAOYSA-N
XLogP4.31
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.19
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 23218369
N-[3-(2-chloroethoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106306680
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol
CID 18504619
N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113368697
3,5-dichloro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]butoxy]phenol
CID 70269952
N-(6-iodohexyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107848615
N-pent-4-ynyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113245115
N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide
CID 22006886
N-(4-amino-4-sulfanylidenebutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908481
N-(4-bromopentyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106130786
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide
CID 22006893

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 22006727) is N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is OIXFLANIHYHGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O3/c17-11-6-10(24)7-12(18)14(11)26-5-1-4-22-15(25)13-3-2-9(8-23-13)16(19,20)21/h2-3,6-8,24H,1,4-5H2,(H,22,25).
What are the key properties of N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 409.19 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 22006727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).