2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C16H13ClF3NO2 — CID 8871375

IUPAC2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO2/c17-13-6-1-2-7-14(13)23-10-15(22)21-9-11-4-3-5-12(8-11)16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyZTAUBGDQYGWDOE-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.05
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 8871375) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID8871375
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC Name2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO2/c17-13-6-1-2-7-14(13)23-10-15(22)21-9-11-4-3-5-12(8-11)16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyZTAUBGDQYGWDOE-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871382
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241530
(2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100536953
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-chlorobenzoate
CID 46860400
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5217542
2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 79463391
2-(2-chlorophenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46590568
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55340991
2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 16571755

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 8871375) is 2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is O=C(COc1ccccc1Cl)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is ZTAUBGDQYGWDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c17-13-6-1-2-7-14(13)23-10-15(22)21-9-11-4-3-5-12(8-11)16(18,19)20/h1-8H,9-10H2,(H,21,22).
What are the key properties of 2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 343.73 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 8871375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).