N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C17H15ClF3NO2 — CID 55717207

IUPACN-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCCOc1cccc(Cl)c1
InChIInChI=1S/C17H15ClF3NO2/c18-14-2-1-3-15(11-14)24-9-8-22-16(23)10-12-4-6-13(7-5-12)17(19,20)21/h1-7,11H,8-10H2,(H,22,23)
InChIKeyZOOSELNPHZUFME-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.10
Rot. Bonds6

About N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 55717207) has the molecular formula C17H15ClF3NO2 and a molecular weight of 357.76 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID55717207
Molecular FormulaC17H15ClF3NO2
Molecular Weight357.76 g/mol
Exact Mass357.07
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCCOc1cccc(Cl)c1
InChIInChI=1S/C17H15ClF3NO2/c18-14-2-1-3-15(11-14)24-9-8-22-16(23)10-12-4-6-13(7-5-12)17(19,20)21/h1-7,11H,8-10H2,(H,22,23)
InChIKeyZOOSELNPHZUFME-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803102
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27134177
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55920744

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 55717207) is N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NCCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZOOSELNPHZUFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2/c18-14-2-1-3-15(11-14)24-9-8-22-16(23)10-12-4-6-13(7-5-12)17(19,20)21/h1-7,11H,8-10H2,(H,22,23).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 357.76 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55717207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).