N-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C23H14Cl2F3N3O2 — CID 59632536

IUPACN-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(O)ccc1Cl)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H14Cl2F3N3O2/c24-16-10-9-15(32)11-18(16)29-22(33)14-7-5-13(6-8-14)20-12-21(23(26,27)28)30-31(20)19-4-2-1-3-17(19)25/h1-12,32H,(H,29,33)
InChIKeyYGWUPWNJHQMTND-UHFFFAOYSA-N
MW492.28 g/mol
LogP6.82
Rot. Bonds4

About N-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide

N-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 59632536) has the molecular formula C23H14Cl2F3N3O2 and a molecular weight of 492.28 g/mol. Its IUPAC name is N-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID59632536
Molecular FormulaC23H14Cl2F3N3O2
Molecular Weight492.28 g/mol
Exact Mass491.04
IUPAC NameN-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(O)ccc1Cl)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H14Cl2F3N3O2/c24-16-10-9-15(32)11-18(16)29-22(33)14-7-5-13(6-8-14)20-12-21(23(26,27)28)30-31(20)19-4-2-1-3-17(19)25/h1-12,32H,(H,29,33)
InChIKeyYGWUPWNJHQMTND-UHFFFAOYSA-N
XLogP6.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.28
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of N-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 59632536) is N-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is O=C(Nc1cc(O)ccc1Cl)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is YGWUPWNJHQMTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F3N3O2/c24-16-10-9-15(32)11-18(16)29-22(33)14-7-5-13(6-8-14)20-12-21(23(26,27)28)30-31(20)19-4-2-1-3-17(19)25/h1-12,32H,(H,29,33).
What are the key properties of N-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
N-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 492.28 g/mol, XLogP of 6.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 59632536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).