N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide

C26H18ClF4N3O2 — CID 58397312

IUPACN-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCCc1cc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cc(C(F)(F)F)ccc3F)c2)ccn1
InChIInChI=1S/C26H18ClF4N3O2/c1-2-17-12-15(9-11-32-17)19-4-3-10-33-25(19)36-18-6-7-21(27)23(14-18)34-24(35)20-13-16(26(29,30)31)5-8-22(20)28/h3-14H,2H2,1H3,(H,34,35)
InChIKeyNSJOWOIXQKJHDT-UHFFFAOYSA-N
MW515.89 g/mol
LogP7.56
Rot. Bonds6

About N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide

N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 58397312) has the molecular formula C26H18ClF4N3O2 and a molecular weight of 515.89 g/mol. Its IUPAC name is N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide
PubChem CID58397312
Molecular FormulaC26H18ClF4N3O2
Molecular Weight515.89 g/mol
Exact Mass515.10
IUPAC NameN-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCCc1cc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cc(C(F)(F)F)ccc3F)c2)ccn1
InChIInChI=1S/C26H18ClF4N3O2/c1-2-17-12-15(9-11-32-17)19-4-3-10-33-25(19)36-18-6-7-21(27)23(14-18)34-24(35)20-13-16(26(29,30)31)5-8-22(20)28/h3-14H,2H2,1H3,(H,34,35)
InChIKeyNSJOWOIXQKJHDT-UHFFFAOYSA-N
XLogP7.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.89
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-(2-chloro-5-(3-(2-(methylamino)pyridin-4-yl)pyridin-2-yloxy)phenyl)-3-isopropylbenzamide
CID 44440301
N-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58921211
N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 127044250
3-chloro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-5-(trifluoromethyl)benzamide
CID 127044435
N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide
CID 44583626
N-[3-(8-acetamidoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide
CID 44583627
8-chloro-N-(3-methoxyphenyl)-2-(3-pyridinyl)-4-quinolinecarboxamide
CID 2220468
1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(2-pyridin-2-ylethoxy)phenyl]piperidine-3-carboxamide
CID 71682048
1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide
CID 71682815
1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-[[3-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]piperidine-3-carboxamide
CID 71682660
US20240158414, Example 210
CID 156249527
US20240158414, Example 10
CID 156249572

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide (CID 58397312) is N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide is CCc1cc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cc(C(F)(F)F)ccc3F)c2)ccn1.
What is the InChIKey of N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is NSJOWOIXQKJHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF4N3O2/c1-2-17-12-15(9-11-32-17)19-4-3-10-33-25(19)36-18-6-7-21(27)23(14-18)34-24(35)20-13-16(26(29,30)31)5-8-22(20)28/h3-14H,2H2,1H3,(H,34,35).
What are the key properties of N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide?
N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 515.89 g/mol, XLogP of 7.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 58397312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).