2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C27H18F3NO3 — CID 22081571

IUPAC2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(c1ccc(-c2ccccc2)cc1)c1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C27H18F3NO3/c28-27(29,30)21-7-4-8-22(16-21)31-26(34)23-15-20(13-14-24(23)32)25(33)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16,32H,(H,31,34)
InChIKeyMPDOQLQWAKNLJX-UHFFFAOYSA-N
MW461.44 g/mol
LogP6.56
Rot. Bonds5

About 2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide

2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 22081571) has the molecular formula C27H18F3NO3 and a molecular weight of 461.44 g/mol. Its IUPAC name is 2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID22081571
Molecular FormulaC27H18F3NO3
Molecular Weight461.44 g/mol
Exact Mass461.12
IUPAC Name2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(c1ccc(-c2ccccc2)cc1)c1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C27H18F3NO3/c28-27(29,30)21-7-4-8-22(16-21)31-26(34)23-15-20(13-14-24(23)32)25(33)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16,32H,(H,31,34)
InChIKeyMPDOQLQWAKNLJX-UHFFFAOYSA-N
XLogP6.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.44
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 121356240
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
5-chloro-2-hydroxy-N-[3-phenyl-5-(trifluoromethyl)phenyl]benzamide
CID 166523034
4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107073831
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid
CID 71086455
3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
CID 151250225
2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425
5-(2,4-difluorophenyl)-2-hydroxybenzoic acid;5-(2,4-difluorophenyl)-2-hydroxybenzoyl chloride;5-(2,4-difluorophenyl)-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157295394
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 22081571) is 2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(c1ccc(-c2ccccc2)cc1)c1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MPDOQLQWAKNLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3NO3/c28-27(29,30)21-7-4-8-22(16-21)31-26(34)23-15-20(13-14-24(23)32)25(33)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16,32H,(H,31,34).
What are the key properties of 2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 461.44 g/mol, XLogP of 6.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 22081571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).