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

C25H13Cl2F6N3O3 — CID 58737138

IUPAC3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C25H13Cl2F6N3O3/c26-17-9-13(1-5-19(17)38-21-7-2-14(11-34-21)24(28,29)30)23(37)36-16-4-6-20(18(27)10-16)39-22-8-3-15(12-35-22)25(31,32)33/h1-12H,(H,36,37)
InChIKeyXUIFJCDAFPRZGG-UHFFFAOYSA-N
MW588.29 g/mol
LogP8.66
Rot. Bonds6

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

3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 58737138) has the molecular formula C25H13Cl2F6N3O3 and a molecular weight of 588.29 g/mol. Its IUPAC name is 3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID58737138
Molecular FormulaC25H13Cl2F6N3O3
Molecular Weight588.29 g/mol
Exact Mass587.02
IUPAC Name3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C25H13Cl2F6N3O3/c26-17-9-13(1-5-19(17)38-21-7-2-14(11-34-21)24(28,29)30)23(37)36-16-4-6-20(18(27)10-16)39-22-8-3-15(12-35-22)25(31,32)33/h1-12H,(H,36,37)
InChIKeyXUIFJCDAFPRZGG-UHFFFAOYSA-N
XLogP8.66
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.29
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 91708
VU0422288
CID 73058507
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3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide
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6-[4-[2-(Benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide
CID 59729911
6-[2-Chloro-4-[2-[(3-chlorophenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68747500
6-[2-Chloro-4-[2-[(3-fluorophenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68747847
N-(6-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 852620
N-(3-Chloro-4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)cyclopropanecarboxamide
CID 1479550
(R)-3-chloro-4-(4-((2-(pyridin-3-yl)pyrrolidin-1-yl)methyl)phenoxy)benzamide
CID 56851584
N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide
CID 70686226

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of 3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 58737138) is 3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is XUIFJCDAFPRZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13Cl2F6N3O3/c26-17-9-13(1-5-19(17)38-21-7-2-14(11-34-21)24(28,29)30)23(37)36-16-4-6-20(18(27)10-16)39-22-8-3-15(12-35-22)25(31,32)33/h1-12H,(H,36,37).
What are the key properties of 3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 588.29 g/mol, XLogP of 8.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 58737138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).