2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

C18H14F6N2O2 — CID 9207196

IUPAC2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H14F6N2O2/c1-10(27)25-14-4-2-11(3-5-14)6-16(28)26-15-8-12(17(19,20)21)7-13(9-15)18(22,23)24/h2-5,7-9H,6H2,1H3,(H,25,27)(H,26,28)
InChIKeyKLAMSJSJPFAHDO-UHFFFAOYSA-N
MW404.31 g/mol
LogP4.86
Rot. Bonds4

About 2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 9207196) has the molecular formula C18H14F6N2O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
PubChem CID9207196
Molecular FormulaC18H14F6N2O2
Molecular Weight404.31 g/mol
Exact Mass404.10
IUPAC Name2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H14F6N2O2/c1-10(27)25-14-4-2-11(3-5-14)6-16(28)26-15-8-12(17(19,20)21)7-13(9-15)18(22,23)24/h2-5,7-9H,6H2,1H3,(H,25,27)(H,26,28)
InChIKeyKLAMSJSJPFAHDO-UHFFFAOYSA-N
XLogP4.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-(4-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534873
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60620663
N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 178014246
2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 9263287
2-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561278
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (CID 9207196) is 2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is KLAMSJSJPFAHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N2O2/c1-10(27)25-14-4-2-11(3-5-14)6-16(28)26-15-8-12(17(19,20)21)7-13(9-15)18(22,23)24/h2-5,7-9H,6H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 404.31 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 9207196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).