4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide

C18H18F3NO2 — CID 17197649

IUPAC4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO2/c1-3-12(2)24-16-9-7-13(8-10-16)17(23)22-15-6-4-5-14(11-15)18(19,20)21/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyQKSFVCASHWBKQR-UHFFFAOYSA-N
MW337.34 g/mol
LogP5.14
Rot. Bonds5

About 4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide

4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 17197649) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID17197649
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO2/c1-3-12(2)24-16-9-7-13(8-10-16)17(23)22-15-6-4-5-14(11-15)18(19,20)21/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyQKSFVCASHWBKQR-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.34
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878312
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
methyl 2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoate
CID 5072001
4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4137017
N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide
CID 17187670
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
methyl 4-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17178329
3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878204
N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide
CID 17161659
4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46521899
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108987361

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 17197649) is 4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide is CCC(C)Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QKSFVCASHWBKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-3-12(2)24-16-9-7-13(8-10-16)17(23)22-15-6-4-5-14(11-15)18(19,20)21/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of 4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide?
4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 337.34 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 17197649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).