4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide

C17H11F4N3O2 — CID 20597281

IUPAC4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(C(F)(F)F)c1)c1ccc(F)c(O)c1
InChIInChI=1S/C17H11F4N3O2/c18-13-3-1-10(7-15(13)25)16(26)23-11-2-4-14(24-6-5-22-9-24)12(8-11)17(19,20)21/h1-9,25H,(H,23,26)
InChIKeyUKADCPICEMUVQV-UHFFFAOYSA-N
MW365.29 g/mol
LogP3.99
Rot. Bonds3

About 4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide

4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 20597281) has the molecular formula C17H11F4N3O2 and a molecular weight of 365.29 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide
PubChem CID20597281
Molecular FormulaC17H11F4N3O2
Molecular Weight365.29 g/mol
Exact Mass365.08
IUPAC Name4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(C(F)(F)F)c1)c1ccc(F)c(O)c1
InChIInChI=1S/C17H11F4N3O2/c18-13-3-1-10(7-15(13)25)16(26)23-11-2-4-14(24-6-5-22-9-24)12(8-11)17(19,20)21/h1-9,25H,(H,23,26)
InChIKeyUKADCPICEMUVQV-UHFFFAOYSA-N
XLogP3.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
CID 166435239
3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide
CID 166387467
4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
CID 55856122
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592
N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 47059878
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 60535989
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55956166
N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 26409874
N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 143860074
2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774168
4-imidazol-1-yl-N-(4-methylphenyl)-3-nitrobenzamide
CID 26086024

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide (CID 20597281) is 4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(-n2ccnc2)c(C(F)(F)F)c1)c1ccc(F)c(O)c1.
What is the InChIKey of 4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UKADCPICEMUVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O2/c18-13-3-1-10(7-15(13)25)16(26)23-11-2-4-14(24-6-5-22-9-24)12(8-11)17(19,20)21/h1-9,25H,(H,23,26).
What are the key properties of 4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide?
4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 365.29 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 20597281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).