N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide

C22H12ClF4N3OS — CID 25181726

IUPACN-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cn1)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C22H12ClF4N3OS/c23-16-6-4-12(21-28-8-9-32-21)10-14(16)13-5-7-18(29-11-13)30-20(31)19-15(22(25,26)27)2-1-3-17(19)24/h1-11H,(H,29,30,31)
InChIKeyWQXMIWIABDRTPY-UHFFFAOYSA-N
MW477.87 g/mol
LogP6.94
Rot. Bonds4

About N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide

N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide (PubChem CID 25181726) has the molecular formula C22H12ClF4N3OS and a molecular weight of 477.87 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide
PubChem CID25181726
Molecular FormulaC22H12ClF4N3OS
Molecular Weight477.87 g/mol
Exact Mass477.03
IUPAC NameN-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cn1)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C22H12ClF4N3OS/c23-16-6-4-12(21-28-8-9-32-21)10-14(16)13-5-7-18(29-11-13)30-20(31)19-15(22(25,26)27)2-1-3-17(19)24/h1-11H,(H,29,30,31)
InChIKeyWQXMIWIABDRTPY-UHFFFAOYSA-N
XLogP6.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.87
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide (CID 25181726) is N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide is O=C(Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cn1)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The InChIKey is WQXMIWIABDRTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClF4N3OS/c23-16-6-4-12(21-28-8-9-32-21)10-14(16)13-5-7-18(29-11-13)30-20(31)19-15(22(25,26)27)2-1-3-17(19)24/h1-11H,(H,29,30,31).
What are the key properties of N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide?
N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide has a molecular weight of 477.87 g/mol, XLogP of 6.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 25181726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).