N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

C19H11Cl2F3N2O2 — CID 12852220

IUPACN-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H11Cl2F3N2O2/c20-15-7-6-12(10-16(15)21)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
InChIKeyVMFRHFBKCDYXHE-UHFFFAOYSA-N
MW427.21 g/mol
LogP6.45
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 12852220) has the molecular formula C19H11Cl2F3N2O2 and a molecular weight of 427.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
PubChem CID12852220
Molecular FormulaC19H11Cl2F3N2O2
Molecular Weight427.21 g/mol
Exact Mass426.01
IUPAC NameN-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H11Cl2F3N2O2/c20-15-7-6-12(10-16(15)21)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
InChIKeyVMFRHFBKCDYXHE-UHFFFAOYSA-N
XLogP6.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.21
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 91735
CID 91735
CID 11837154
CID 11837154
CID 2774902
CID 2774902
CID 132569642
CID 132569642
CID 1211466
CID 1211466
CID 803928
CID 803928
CID 2477363
CID 2477363
CID 71544076
CID 71544076
CID 2797676
CID 2797676
CID 71506880
CID 71506880
CID 1211385
CID 1211385
CID 2727244
CID 2727244

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 12852220) is N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is VMFRHFBKCDYXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N2O2/c20-15-7-6-12(10-16(15)21)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27).
What are the key properties of N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 427.21 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 12852220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).