3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide

C15H16F3N3O3 — CID 110024987

IUPAC3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide
SMILESCn1ccnc1C(O)(CCNC(=O)c1cccc(O)c1)C(F)(F)F
InChIInChI=1S/C15H16F3N3O3/c1-21-8-7-20-13(21)14(24,15(16,17)18)5-6-19-12(23)10-3-2-4-11(22)9-10/h2-4,7-9,22,24H,5-6H2,1H3,(H,19,23)
InChIKeyGOSRKKMMMLWNLQ-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.70
Rot. Bonds5

About 3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide

3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide (PubChem CID 110024987) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is 3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide
PubChem CID110024987
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Name3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide
SMILESCn1ccnc1C(O)(CCNC(=O)c1cccc(O)c1)C(F)(F)F
InChIInChI=1S/C15H16F3N3O3/c1-21-8-7-20-13(21)14(24,15(16,17)18)5-6-19-12(23)10-3-2-4-11(22)9-10/h2-4,7-9,22,24H,5-6H2,1H3,(H,19,23)
InChIKeyGOSRKKMMMLWNLQ-UHFFFAOYSA-N
XLogP1.70
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-3-methoxybenzamide
CID 4465100
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 16675192
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 16675193
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N-methyl-3,5-di(propan-2-yl)benzamide
CID 40151533
4-fluoro-3-hydroxy-N-[(1-propyl-1H-imidazol-2-yl)methyl]benzamide
CID 91794947
(3-hydroxy-2-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97211046
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-hydroxy-5-methylbenzamide
CID 125161943
3-hydroxy-N-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]benzamide
CID 49819274
N-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]-2-hydroxybenzamide
CID 49819410
3-fluoro-4-hydroxy-N-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]benzamide
CID 59581452
3-hydroxy-4-methyl-N-[3-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-yl]benzamide
CID 59581496
2-hydroxy-N-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]benzamide
CID 59581538

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide?
The IUPAC name of 3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide (CID 110024987) is 3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide?
The canonical SMILES for 3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide is Cn1ccnc1C(O)(CCNC(=O)c1cccc(O)c1)C(F)(F)F.
What is the InChIKey of 3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide?
The InChIKey is GOSRKKMMMLWNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-21-8-7-20-13(21)14(24,15(16,17)18)5-6-19-12(23)10-3-2-4-11(22)9-10/h2-4,7-9,22,24H,5-6H2,1H3,(H,19,23).
What are the key properties of 3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide?
3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide has a molecular weight of 343.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]benzamide is sourced from PubChem (CID 110024987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).