2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide

C15H12F3NO2 — CID 65100671

IUPAC2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide
SMILESCC(O)c1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C15H12F3NO2/c1-8(20)9-2-4-11(5-3-9)19-15(21)14-12(17)6-10(16)7-13(14)18/h2-8,20H,1H3,(H,19,21)
InChIKeyRZXOQCHWSYAPRZ-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.41
Rot. Bonds3

About 2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide

2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide (PubChem CID 65100671) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide
PubChem CID65100671
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide
SMILESCC(O)c1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C15H12F3NO2/c1-8(20)9-2-4-11(5-3-9)19-15(21)14-12(17)6-10(16)7-13(14)18/h2-8,20H,1H3,(H,19,21)
InChIKeyRZXOQCHWSYAPRZ-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2,4,6-trifluorobenzamide
CID 65098972
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 62510659
5-fluoro-N-[4-(1-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 104786162
3,5-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4785745
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide
CID 81477970
N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide
CID 79767572
2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
CID 90395970
N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
CID 65100627
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide
CID 65100279
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
CID 93040828

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide?
The IUPAC name of 2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide (CID 65100671) is 2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide is CC(O)c1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1.
What is the InChIKey of 2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide?
The InChIKey is RZXOQCHWSYAPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-8(20)9-2-4-11(5-3-9)19-15(21)14-12(17)6-10(16)7-13(14)18/h2-8,20H,1H3,(H,19,21).
What are the key properties of 2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide?
2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide has a molecular weight of 295.26 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide is sourced from PubChem (CID 65100671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).