N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide

C18H18F3NO2 — CID 3323954

IUPACN-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3NO2/c1-3-12(2)13-4-8-15(9-5-13)22-17(23)14-6-10-16(11-7-14)24-18(19,20)21/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyICUVXKGUFSBUEU-UHFFFAOYSA-N
MW337.34 g/mol
LogP5.35
Rot. Bonds5

About N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide

N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide (PubChem CID 3323954) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
PubChem CID3323954
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3NO2/c1-3-12(2)13-4-8-15(9-5-13)22-17(23)14-6-10-16(11-7-14)24-18(19,20)21/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyICUVXKGUFSBUEU-UHFFFAOYSA-N
XLogP5.35
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 ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide
CID 87444403
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579
N-[4-[(2R)-butan-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 2461107
4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 55852205

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide (CID 3323954) is N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide is CCC(C)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is ICUVXKGUFSBUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-3-12(2)13-4-8-15(9-5-13)22-17(23)14-6-10-16(11-7-14)24-18(19,20)21/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide?
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 337.34 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 3323954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).