N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide

C22H18F3NO2 — CID 100758154

IUPACN-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)18-12-7-13-19(14-18)28-15-20(27)26-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,21H,15H2,(H,26,27)
InChIKeyLQFJKNIYRQCUSV-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.99
Rot. Bonds6

About N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide

N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 100758154) has the molecular formula C22H18F3NO2 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID100758154
Molecular FormulaC22H18F3NO2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC NameN-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)18-12-7-13-19(14-18)28-15-20(27)26-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,21H,15H2,(H,26,27)
InChIKeyLQFJKNIYRQCUSV-UHFFFAOYSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854042
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853969
N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758350
(2S)-4-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoic acid
CID 119361630
1-benzhydryl-3-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]urea
CID 121131563
N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 112778632
(E)-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]hex-4-enoic acid
CID 120692686
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41188622
N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9481831
methyl 3-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoate
CID 112791627
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 100758154) is N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is LQFJKNIYRQCUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO2/c23-22(24,25)18-12-7-13-19(14-18)28-15-20(27)26-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,21H,15H2,(H,26,27).
What are the key properties of N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 385.39 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 100758154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).