2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

C17H15ClF3NO2 — CID 982295

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3NO2/c1-16(2,24-14-8-6-12(18)7-9-14)15(23)22-13-5-3-4-11(10-13)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyXFAYUELBFSFZFN-UHFFFAOYSA-N
MW357.76 g/mol
LogP5.15
Rot. Bonds4

About 2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 982295) has the molecular formula C17H15ClF3NO2 and a molecular weight of 357.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID982295
Molecular FormulaC17H15ClF3NO2
Molecular Weight357.76 g/mol
Exact Mass357.07
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3NO2/c1-16(2,24-14-8-6-12(18)7-9-14)15(23)22-13-5-3-4-11(10-13)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyXFAYUELBFSFZFN-UHFFFAOYSA-N
XLogP5.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.76
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 44569507
2-methyl-2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 22687485
2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide
CID 95162921
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
2-(4-chlorophenoxy)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 5085201
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 30308365

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 982295) is 2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XFAYUELBFSFZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2/c1-16(2,24-14-8-6-12(18)7-9-14)15(23)22-13-5-3-4-11(10-13)17(19,20)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 357.76 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 982295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).