5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

C22H16ClF4N3O3 — CID 167370756

IUPAC5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccc(C(N)=O)nc1
InChIInChI=1S/C22H16ClF4N3O3/c1-10-7-12(23)8-11(2)19(10)33-16-6-4-14(22(25,26)27)18(24)17(16)21(32)30-13-3-5-15(20(28)31)29-9-13/h3-9H,1-2H3,(H2,28,31)(H,30,32)
InChIKeyCKFBCBLUBIVPEQ-UHFFFAOYSA-N
MW481.83 g/mol
LogP5.65
Rot. Bonds5

About 5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 167370756) has the molecular formula C22H16ClF4N3O3 and a molecular weight of 481.83 g/mol. Its IUPAC name is 5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID167370756
Molecular FormulaC22H16ClF4N3O3
Molecular Weight481.83 g/mol
Exact Mass481.08
IUPAC Name5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccc(C(N)=O)nc1
InChIInChI=1S/C22H16ClF4N3O3/c1-10-7-12(23)8-11(2)19(10)33-16-6-4-14(22(25,26)27)18(24)17(16)21(32)30-13-3-5-15(20(28)31)29-9-13/h3-9H,1-2H3,(H2,28,31)(H,30,32)
InChIKeyCKFBCBLUBIVPEQ-UHFFFAOYSA-N
XLogP5.65
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.83
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 167370756) is 5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is Cc1cc(Cl)cc(C)c1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccc(C(N)=O)nc1.
What is the InChIKey of 5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is CKFBCBLUBIVPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF4N3O3/c1-10-7-12(23)8-11(2)19(10)33-16-6-4-14(22(25,26)27)18(24)17(16)21(32)30-13-3-5-15(20(28)31)29-9-13/h3-9H,1-2H3,(H2,28,31)(H,30,32).
What are the key properties of 5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 481.83 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(4-chloro-2,6-dimethylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167370756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).