N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C17H15ClF3NO2 — CID 46490982

IUPACN-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClF3NO2/c1-11(13-3-2-4-14(18)10-13)22-16(23)9-12-5-7-15(8-6-12)24-17(19,20)21/h2-8,10-11H,9H2,1H3,(H,22,23)
InChIKeyDMARYVGYXNCDMR-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.66
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 46490982) has the molecular formula C17H15ClF3NO2 and a molecular weight of 357.76 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID46490982
Molecular FormulaC17H15ClF3NO2
Molecular Weight357.76 g/mol
Exact Mass357.07
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClF3NO2/c1-11(13-3-2-4-14(18)10-13)22-16(23)9-12-5-7-15(8-6-12)24-17(19,20)21/h2-8,10-11H,9H2,1H3,(H,22,23)
InChIKeyDMARYVGYXNCDMR-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579291
2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538
2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611461
(2S)-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119238043
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 43024562

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 46490982) is N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is CC(NC(=O)Cc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is DMARYVGYXNCDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2/c1-11(13-3-2-4-14(18)10-13)22-16(23)9-12-5-7-15(8-6-12)24-17(19,20)21/h2-8,10-11H,9H2,1H3,(H,22,23).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 357.76 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 46490982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).