2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide

C16H12ClF3INO2 — CID 5111404

IUPAC2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C16H12ClF3INO2/c1-9-6-10(17)2-5-14(9)24-8-15(23)22-13-4-3-11(21)7-12(13)16(18,19)20/h2-7H,8H2,1H3,(H,22,23)
InChIKeyLSCKXUAXEIGVAY-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.29
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 5111404) has the molecular formula C16H12ClF3INO2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
PubChem CID5111404
Molecular FormulaC16H12ClF3INO2
Molecular Weight469.63 g/mol
Exact Mass468.96
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C16H12ClF3INO2/c1-9-6-10(17)2-5-14(9)24-8-15(23)22-13-4-3-11(21)7-12(13)16(18,19)20/h2-7H,8H2,1H3,(H,22,23)
InChIKeyLSCKXUAXEIGVAY-UHFFFAOYSA-N
XLogP5.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 3360136
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1321750
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 4512628
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2527865
2-(4-ethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 1293662
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 35576066
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 4512621

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide (CID 5111404) is 2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(I)cc1C(F)(F)F.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LSCKXUAXEIGVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3INO2/c1-9-6-10(17)2-5-14(9)24-8-15(23)22-13-4-3-11(21)7-12(13)16(18,19)20/h2-7H,8H2,1H3,(H,22,23).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 469.63 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 5111404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).