N-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide

C20H21F3N2O3 — CID 155522109

IUPACN-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
SMILESCC(C)N(CC(=O)Nc1ccccc1)C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c1-14(2)25(12-18(26)24-16-6-4-3-5-7-16)19(27)13-28-17-10-8-15(9-11-17)20(21,22)23/h3-11,14H,12-13H2,1-2H3,(H,24,26)
InChIKeyIAVCLDSBZITVFN-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.96
Rot. Bonds7

About N-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide

N-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide (PubChem CID 155522109) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
PubChem CID155522109
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
SMILESCC(C)N(CC(=O)Nc1ccccc1)C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c1-14(2)25(12-18(26)24-16-6-4-3-5-7-16)19(27)13-28-17-10-8-15(9-11-17)20(21,22)23/h3-11,14H,12-13H2,1-2H3,(H,24,26)
InChIKeyIAVCLDSBZITVFN-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The IUPAC name of N-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide (CID 155522109) is N-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide.
What is the SMILES notation for N-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The canonical SMILES for N-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide is CC(C)N(CC(=O)Nc1ccccc1)C(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The InChIKey is IAVCLDSBZITVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-14(2)25(12-18(26)24-16-6-4-3-5-7-16)19(27)13-28-17-10-8-15(9-11-17)20(21,22)23/h3-11,14H,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
N-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide has a molecular weight of 394.39 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[propan-2-yl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide is sourced from PubChem (CID 155522109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).