5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

C20H12ClF4N3O3 — CID 137406923

IUPAC5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2c(Oc3ccc(F)cc3Cl)cccc2C(F)(F)F)cn1
InChIInChI=1S/C20H12ClF4N3O3/c21-13-8-10(22)4-7-15(13)31-16-3-1-2-12(20(23,24)25)17(16)19(30)28-11-5-6-14(18(26)29)27-9-11/h1-9H,(H2,26,29)(H,28,30)
InChIKeyQPYSQSMVNXFTCE-UHFFFAOYSA-N
MW453.78 g/mol
LogP5.04
Rot. Bonds5

About 5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 137406923) has the molecular formula C20H12ClF4N3O3 and a molecular weight of 453.78 g/mol. Its IUPAC name is 5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID137406923
Molecular FormulaC20H12ClF4N3O3
Molecular Weight453.78 g/mol
Exact Mass453.05
IUPAC Name5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2c(Oc3ccc(F)cc3Cl)cccc2C(F)(F)F)cn1
InChIInChI=1S/C20H12ClF4N3O3/c21-13-8-10(22)4-7-15(13)31-16-3-1-2-12(20(23,24)25)17(16)19(30)28-11-5-6-14(18(26)29)27-9-11/h1-9H,(H2,26,29)(H,28,30)
InChIKeyQPYSQSMVNXFTCE-UHFFFAOYSA-N
XLogP5.04
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.78
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645470
4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370737
5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide
CID 163494304
N-(6-carbamoyl-3-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406715
4-[[2-fluoro-6-(4-fluorophenoxy)-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137410935
5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406441
4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370790
5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 67532141
2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde
CID 90314513
N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406324
5-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyridine-2-carboxamide
CID 167856049
5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide
CID 47460385

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 137406923) is 5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is NC(=O)c1ccc(NC(=O)c2c(Oc3ccc(F)cc3Cl)cccc2C(F)(F)F)cn1.
What is the InChIKey of 5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is QPYSQSMVNXFTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF4N3O3/c21-13-8-10(22)4-7-15(13)31-16-3-1-2-12(20(23,24)25)17(16)19(30)28-11-5-6-14(18(26)29)27-9-11/h1-9H,(H2,26,29)(H,28,30).
What are the key properties of 5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 453.78 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 137406923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).