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

C25H17Cl2F3N4O2 — CID 58396194

IUPAC2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide
SMILESCCc1nccc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cc(C(F)(F)F)ccc3Cl)c2)n1
InChIInChI=1S/C25H17Cl2F3N4O2/c1-2-22-31-11-9-20(33-22)16-4-3-10-32-24(16)36-15-6-8-19(27)21(13-15)34-23(35)17-12-14(25(28,29)30)5-7-18(17)26/h3-13H,2H2,1H3,(H,34,35)
InChIKeyOUESZXGVHNIISY-UHFFFAOYSA-N
MW533.34 g/mol
LogP7.47
Rot. Bonds6

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

2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide (PubChem CID 58396194) has the molecular formula C25H17Cl2F3N4O2 and a molecular weight of 533.34 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide
PubChem CID58396194
Molecular FormulaC25H17Cl2F3N4O2
Molecular Weight533.34 g/mol
Exact Mass532.07
IUPAC Name2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide
SMILESCCc1nccc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cc(C(F)(F)F)ccc3Cl)c2)n1
InChIInChI=1S/C25H17Cl2F3N4O2/c1-2-22-31-11-9-20(33-22)16-4-3-10-32-24(16)36-15-6-8-19(27)21(13-15)34-23(35)17-12-14(25(28,29)30)5-7-18(17)26/h3-13H,2H2,1H3,(H,34,35)
InChIKeyOUESZXGVHNIISY-UHFFFAOYSA-N
XLogP7.47
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.34
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide (CID 58396194) is 2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide is CCc1nccc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cc(C(F)(F)F)ccc3Cl)c2)n1.
What is the InChIKey of 2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide?
The InChIKey is OUESZXGVHNIISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2F3N4O2/c1-2-22-31-11-9-20(33-22)16-4-3-10-32-24(16)36-15-6-8-19(27)21(13-15)34-23(35)17-12-14(25(28,29)30)5-7-18(17)26/h3-13H,2H2,1H3,(H,34,35).
What are the key properties of 2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide has a molecular weight of 533.34 g/mol, XLogP of 7.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-chloro-5-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 58396194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).