N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide

C22H14F6N2O4 — CID 169249630

IUPACN-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide
SMILESCOc1c(Oc2cc(C(F)(F)F)c(F)cc2C(=O)Nc2ccncc2C(C)=O)ccc(F)c1F
InChIInChI=1S/C22H14F6N2O4/c1-10(31)12-9-29-6-5-16(12)30-21(32)11-7-15(24)13(22(26,27)28)8-18(11)34-17-4-3-14(23)19(25)20(17)33-2/h3-9H,1-2H3,(H,29,30,32)
InChIKeyNKDNSZRXDZWOFE-UHFFFAOYSA-N
MW484.35 g/mol
LogP5.77
Rot. Bonds6

About N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide

N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide (PubChem CID 169249630) has the molecular formula C22H14F6N2O4 and a molecular weight of 484.35 g/mol. Its IUPAC name is N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide
PubChem CID169249630
Molecular FormulaC22H14F6N2O4
Molecular Weight484.35 g/mol
Exact Mass484.09
IUPAC NameN-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide
SMILESCOc1c(Oc2cc(C(F)(F)F)c(F)cc2C(=O)Nc2ccncc2C(C)=O)ccc(F)c1F
InChIInChI=1S/C22H14F6N2O4/c1-10(31)12-9-29-6-5-16(12)30-21(32)11-7-15(24)13(22(26,27)28)8-18(11)34-17-4-3-14(23)19(25)20(17)33-2/h3-9H,1-2H3,(H,29,30,32)
InChIKeyNKDNSZRXDZWOFE-UHFFFAOYSA-N
XLogP5.77
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.35
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-5-bromo-6-methoxy-3-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide
CID 169249244
N-(4-fluoro-3-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 114840716
4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine
CID 169249618
2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine
CID 169249635
N-(5-chloro-2-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234108
4-[[6-(3,4-difluoro-2-methoxyphenoxy)-4-methoxy-2-(methylamino)-3-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-2-carboxamide
CID 154644850
methyl 5-[[6-(3,4-difluoro-2-methoxyphenoxy)-2-fluoro-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyrimidine-2-carboxylate
CID 154645475
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348
5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide
CID 167198230
4-(3,4-difluoro-2-methoxyphenoxy)-N-(3-methylsulfanylphenyl)-6-(trifluoromethyl)pyridazine-3-carboxamide;ethane
CID 171071780
N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 64949895
N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide
CID 105062950

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide (CID 169249630) is N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide is COc1c(Oc2cc(C(F)(F)F)c(F)cc2C(=O)Nc2ccncc2C(C)=O)ccc(F)c1F.
What is the InChIKey of N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide?
The InChIKey is NKDNSZRXDZWOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N2O4/c1-10(31)12-9-29-6-5-16(12)30-21(32)11-7-15(24)13(22(26,27)28)8-18(11)34-17-4-3-14(23)19(25)20(17)33-2/h3-9H,1-2H3,(H,29,30,32).
What are the key properties of N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide?
N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide has a molecular weight of 484.35 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 169249630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).