2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C16H21ClF3NO3 — CID 55560316

IUPAC2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESCc1cc(OCC(=O)NCCOCC(F)(F)F)c(C(C)C)cc1Cl
InChIInChI=1S/C16H21ClF3NO3/c1-10(2)12-7-13(17)11(3)6-14(12)24-8-15(22)21-4-5-23-9-16(18,19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,21,22)
InChIKeyHPRIGTPRDOUPCW-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.85
Rot. Bonds8

About 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 55560316) has the molecular formula C16H21ClF3NO3 and a molecular weight of 367.80 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID55560316
Molecular FormulaC16H21ClF3NO3
Molecular Weight367.80 g/mol
Exact Mass367.12
IUPAC Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESCc1cc(OCC(=O)NCCOCC(F)(F)F)c(C(C)C)cc1Cl
InChIInChI=1S/C16H21ClF3NO3/c1-10(2)12-7-13(17)11(3)6-14(12)24-8-15(22)21-4-5-23-9-16(18,19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,21,22)
InChIKeyHPRIGTPRDOUPCW-UHFFFAOYSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 65216681
N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7945278
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 4842618
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetate
CID 16543888
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26210021
N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7959173
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 75403613
N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 2311623
2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55775298
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
CID 62584526
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide
CID 97067622

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 55560316) is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is Cc1cc(OCC(=O)NCCOCC(F)(F)F)c(C(C)C)cc1Cl.
What is the InChIKey of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is HPRIGTPRDOUPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF3NO3/c1-10(2)12-7-13(17)11(3)6-14(12)24-8-15(22)21-4-5-23-9-16(18,19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 367.80 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 55560316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).