5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide

C22H15ClF4N2O3 — CID 163812188

IUPAC5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1C=C(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2Oc2ccc(F)c3c2CCC3)C=NC1
InChIInChI=1S/C22H15ClF4N2O3/c23-17-7-15(21(31)29-11-6-12(30)10-28-9-11)20(8-16(17)22(25,26)27)32-19-5-4-18(24)13-2-1-3-14(13)19/h4-9H,1-3,10H2,(H,29,31)
InChIKeyZLMFOHCXMVPJCD-UHFFFAOYSA-N
MW466.82 g/mol
LogP5.05
Rot. Bonds4

About 5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide

5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 163812188) has the molecular formula C22H15ClF4N2O3 and a molecular weight of 466.82 g/mol. Its IUPAC name is 5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID163812188
Molecular FormulaC22H15ClF4N2O3
Molecular Weight466.82 g/mol
Exact Mass466.07
IUPAC Name5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1C=C(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2Oc2ccc(F)c3c2CCC3)C=NC1
InChIInChI=1S/C22H15ClF4N2O3/c23-17-7-15(21(31)29-11-6-12(30)10-28-9-11)20(8-16(17)22(25,26)27)32-19-5-4-18(24)13-2-1-3-14(13)19/h4-9H,1-3,10H2,(H,29,31)
InChIKeyZLMFOHCXMVPJCD-UHFFFAOYSA-N
XLogP5.05
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.82
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(5-chloro-2-[2-(difluoromethoxy)-4-fluorophenoxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide);5-chloro-2-fluoro-N-(3-oxocyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)benzamide;2-(difluoromethoxy)-4-fluoro-1-methoxybenzene;2-(difluoromethoxy)-4-fluorophenol;5-fluoro-2-methoxyphenol
CID 163545056
5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide
CID 148566728
6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-2-methyl-N-pyridin-3-yl-3-(trifluoromethyl)benzamide
CID 169207644
2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide
CID 152995096
6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-2-methyl-N-(1-oxidopyridin-1-ium-3-yl)-3-(trifluoromethyl)benzamide
CID 169207661
tert-butyl 4-[[4-[[5-chloro-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]sulfonylamino]piperidine-1-carboxylate
CID 176866190
5-chloro-2-[4-fluoro-2-(trifluoromethoxy)phenoxy]-N-(1-hydroxypyridin-1-ium-3-yl)-4-(trifluoromethyl)benzamide
CID 167320519
5-chloro-N-(2-methylsulfanyl-4-pyridinyl)-2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzamide
CID 170784642
4-[[4-[[5-chloro-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzoyl]amino]-6-oxopyridazin-1-yl]methoxy]-4-oxobutanoic acid
CID 154684936
5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide
CID 166832156
2-(4-bromo-2-methoxyphenoxy)-5-chloro-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-4-(trifluoromethyl)benzamide
CID 171071907
5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide
CID 170632931

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide (CID 163812188) is 5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide is O=C1C=C(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2Oc2ccc(F)c3c2CCC3)C=NC1.
What is the InChIKey of 5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is ZLMFOHCXMVPJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF4N2O3/c23-17-7-15(21(31)29-11-6-12(30)10-28-9-11)20(8-16(17)22(25,26)27)32-19-5-4-18(24)13-2-1-3-14(13)19/h4-9H,1-3,10H2,(H,29,31).
What are the key properties of 5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide?
5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 466.82 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 163812188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).