5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

C21H14ClF4N3O3 — CID 154645470

IUPAC5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCc1c(C(F)(F)F)ccc(Oc2ccc(F)cc2Cl)c1C(=O)Nc1ccc(C(N)=O)nc1
InChIInChI=1S/C21H14ClF4N3O3/c1-10-13(21(24,25)26)4-7-17(32-16-6-2-11(23)8-14(16)22)18(10)20(31)29-12-3-5-15(19(27)30)28-9-12/h2-9H,1H3,(H2,27,30)(H,29,31)
InChIKeyNQYJSAJYDWACHT-UHFFFAOYSA-N
MW467.81 g/mol
LogP5.34
Rot. Bonds5

About 5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645470) has the molecular formula C21H14ClF4N3O3 and a molecular weight of 467.81 g/mol. Its IUPAC name is 5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID154645470
Molecular FormulaC21H14ClF4N3O3
Molecular Weight467.81 g/mol
Exact Mass467.07
IUPAC Name5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCc1c(C(F)(F)F)ccc(Oc2ccc(F)cc2Cl)c1C(=O)Nc1ccc(C(N)=O)nc1
InChIInChI=1S/C21H14ClF4N3O3/c1-10-13(21(24,25)26)4-7-17(32-16-6-2-11(23)8-14(16)22)18(10)20(31)29-12-3-5-15(19(27)30)28-9-12/h2-9H,1H3,(H2,27,30)(H,29,31)
InChIKeyNQYJSAJYDWACHT-UHFFFAOYSA-N
XLogP5.34
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.81
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137406923
5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide
CID 163494304
4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370824
4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370757
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
N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide
CID 169097081
ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate
CID 70985167
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
N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406324
4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645104

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 154645470) is 5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is Cc1c(C(F)(F)F)ccc(Oc2ccc(F)cc2Cl)c1C(=O)Nc1ccc(C(N)=O)nc1.
What is the InChIKey of 5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is NQYJSAJYDWACHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF4N3O3/c1-10-13(21(24,25)26)4-7-17(32-16-6-2-11(23)8-14(16)22)18(10)20(31)29-12-3-5-15(19(27)30)28-9-12/h2-9H,1H3,(H2,27,30)(H,29,31).
What are the key properties of 5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 467.81 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).