methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate

C24H19F5N2O4 — CID 154643733

IUPACmethyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nccc(NC(=O)c2c(Oc3ccc(F)c(F)c3C)ccc(C(F)(F)F)c2C)c1C
InChIInChI=1S/C24H19F5N2O4/c1-11-14(24(27,28)29)5-7-18(35-17-8-6-15(25)20(26)13(17)3)19(11)22(32)31-16-9-10-30-21(12(16)2)23(33)34-4/h5-10H,1-4H3,(H,30,31,32)
InChIKeyGSSJDQDVTYYOES-UHFFFAOYSA-N
MW494.42 g/mol
LogP6.14
Rot. Bonds5

About methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate

methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate (PubChem CID 154643733) has the molecular formula C24H19F5N2O4 and a molecular weight of 494.42 g/mol. Its IUPAC name is methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate
PubChem CID154643733
Molecular FormulaC24H19F5N2O4
Molecular Weight494.42 g/mol
Exact Mass494.13
IUPAC Namemethyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nccc(NC(=O)c2c(Oc3ccc(F)c(F)c3C)ccc(C(F)(F)F)c2C)c1C
InChIInChI=1S/C24H19F5N2O4/c1-11-14(24(27,28)29)5-7-18(35-17-8-6-15(25)20(26)13(17)3)19(11)22(32)31-16-9-10-30-21(12(16)2)23(33)34-4/h5-10H,1-4H3,(H,30,31,32)
InChIKeyGSSJDQDVTYYOES-UHFFFAOYSA-N
XLogP6.14
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.42
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate?
The IUPAC name of methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate (CID 154643733) is methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate is COC(=O)c1nccc(NC(=O)c2c(Oc3ccc(F)c(F)c3C)ccc(C(F)(F)F)c2C)c1C.
What is the InChIKey of methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate?
The InChIKey is GSSJDQDVTYYOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N2O4/c1-11-14(24(27,28)29)5-7-18(35-17-8-6-15(25)20(26)13(17)3)19(11)22(32)31-16-9-10-30-21(12(16)2)23(33)34-4/h5-10H,1-4H3,(H,30,31,32).
What are the key properties of methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate?
methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate has a molecular weight of 494.42 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate is sourced from PubChem (CID 154643733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).