2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide

C18H16ClF3N2O3 — CID 24634292

IUPAC2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1
InChIInChI=1S/C18H16ClF3N2O3/c1-11(25)23-14-5-2-12(3-6-14)8-17(26)24-15-9-13(19)4-7-16(15)27-10-18(20,21)22/h2-7,9H,8,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyOBSRIZKIVPCLCE-UHFFFAOYSA-N
MW400.78 g/mol
LogP4.42
Rot. Bonds6

About 2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 24634292) has the molecular formula C18H16ClF3N2O3 and a molecular weight of 400.78 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID24634292
Molecular FormulaC18H16ClF3N2O3
Molecular Weight400.78 g/mol
Exact Mass400.08
IUPAC Name2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1
InChIInChI=1S/C18H16ClF3N2O3/c1-11(25)23-14-5-2-12(3-6-14)8-17(26)24-15-9-13(19)4-7-16(15)27-10-18(20,21)22/h2-7,9H,8,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyOBSRIZKIVPCLCE-UHFFFAOYSA-N
XLogP4.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.78
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 24634292) is 2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is OBSRIZKIVPCLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O3/c1-11(25)23-14-5-2-12(3-6-14)8-17(26)24-15-9-13(19)4-7-16(15)27-10-18(20,21)22/h2-7,9H,8,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 400.78 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 24634292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).