2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C16H12F3NO3 — CID 110860892

IUPAC2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO3/c17-16(18,19)11-2-4-12(5-3-11)20-15(21)8-10-1-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H,20,21)
InChIKeyYTOJUFAXAJSMKL-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.62
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 110860892) has the molecular formula C16H12F3NO3 and a molecular weight of 323.27 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID110860892
Molecular FormulaC16H12F3NO3
Molecular Weight323.27 g/mol
Exact Mass323.08
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO3/c17-16(18,19)11-2-4-12(5-3-11)20-15(21)8-10-1-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H,20,21)
InChIKeyYTOJUFAXAJSMKL-UHFFFAOYSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[4-(trifluoromethyl)phenyl]urea
CID 47032200
1,3-benzodioxol-5-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamodithioate
CID 3542904
1-N-(1,3-benzodioxol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143748
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
N-(4-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534873
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113163288
N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine
CID 171115396
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 41376457

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 110860892) is 2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YTOJUFAXAJSMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO3/c17-16(18,19)11-2-4-12(5-3-11)20-15(21)8-10-1-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H,20,21).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 323.27 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 110860892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).