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

C18H18F3NO2 — CID 3060975

IUPAC5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCCc1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3NO2/c1-2-3-5-12-8-9-16(23)15(10-12)17(24)22-14-7-4-6-13(11-14)18(19,20)21/h4,6-11,23H,2-3,5H2,1H3,(H,22,24)
InChIKeyNUVRXXIKUYEYFQ-UHFFFAOYSA-N
MW337.34 g/mol
LogP5.01
Rot. Bonds5

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

5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 3060975) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID3060975
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCCc1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3NO2/c1-2-3-5-12-8-9-16(23)15(10-12)17(24)22-14-7-4-6-13(11-14)18(19,20)21/h4,6-11,23H,2-3,5H2,1H3,(H,22,24)
InChIKeyNUVRXXIKUYEYFQ-UHFFFAOYSA-N
XLogP5.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.34
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 3060975) is 5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is CCCCc1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NUVRXXIKUYEYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-2-3-5-12-8-9-16(23)15(10-12)17(24)22-14-7-4-6-13(11-14)18(19,20)21/h4,6-11,23H,2-3,5H2,1H3,(H,22,24).
What are the key properties of 5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 337.34 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 3060975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).