3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide

C25H15Cl2F6N3O2 — CID 155402404

IUPAC3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)c(Cl)c1)N(Cc1ccc(Cl)cc1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1
InChIInChI=1S/C25H15Cl2F6N3O2/c26-15-4-1-13(2-5-15)12-36(23(38)14-3-8-18(19(27)9-14)24(28,29)30)16-6-7-17(21(37)10-16)20-11-22(35-34-20)25(31,32)33/h1-11,37H,12H2,(H,34,35)
InChIKeyOTQKTKSDTZEIRH-UHFFFAOYSA-N
MW574.31 g/mol
LogP7.97
Rot. Bonds5

About 3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide

3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 155402404) has the molecular formula C25H15Cl2F6N3O2 and a molecular weight of 574.31 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID155402404
Molecular FormulaC25H15Cl2F6N3O2
Molecular Weight574.31 g/mol
Exact Mass573.04
IUPAC Name3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)c(Cl)c1)N(Cc1ccc(Cl)cc1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1
InChIInChI=1S/C25H15Cl2F6N3O2/c26-15-4-1-13(2-5-15)12-36(23(38)14-3-8-18(19(27)9-14)24(28,29)30)16-6-7-17(21(37)10-16)20-11-22(35-34-20)25(31,32)33/h1-11,37H,12H2,(H,34,35)
InChIKeyOTQKTKSDTZEIRH-UHFFFAOYSA-N
XLogP7.97
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.31
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-3-hydroxy-4-methylphenyl)-4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 59631972
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-4-methylphenyl)benzamide
CID 68656041
N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
CID 135581983
2-chloro-N-[3-hydroxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide
CID 136355368
4-chloro-N-[3-hydroxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide
CID 146433214
N-[(4-chloro-3-fluorophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 148095538
2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide
CID 155106306
3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide
CID 155106378
4-chloro-N-[3-hydroxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 155398841
4-chloro-N-[3-hydroxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 155402075
3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 155402269
2-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide
CID 155402276

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 155402404) is 3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide is O=C(c1ccc(C(F)(F)F)c(Cl)c1)N(Cc1ccc(Cl)cc1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is OTQKTKSDTZEIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2F6N3O2/c26-15-4-1-13(2-5-15)12-36(23(38)14-3-8-18(19(27)9-14)24(28,29)30)16-6-7-17(21(37)10-16)20-11-22(35-34-20)25(31,32)33/h1-11,37H,12H2,(H,34,35).
What are the key properties of 3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide?
3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 574.31 g/mol, XLogP of 7.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 155402404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).