N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide

C16H14BrClINO2 — CID 3608675

IUPACN-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Br)cc2I)cc(C)c1Cl
InChIInChI=1S/C16H14BrClINO2/c1-9-5-12(6-10(2)16(9)18)22-8-15(21)20-14-4-3-11(17)7-13(14)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyMVFTZBCYRIVKFI-UHFFFAOYSA-N
MW494.55 g/mol
LogP5.34
Rot. Bonds4

About N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide

N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide (PubChem CID 3608675) has the molecular formula C16H14BrClINO2 and a molecular weight of 494.55 g/mol. Its IUPAC name is N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
PubChem CID3608675
Molecular FormulaC16H14BrClINO2
Molecular Weight494.55 g/mol
Exact Mass492.89
IUPAC NameN-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Br)cc2I)cc(C)c1Cl
InChIInChI=1S/C16H14BrClINO2/c1-9-5-12(6-10(2)16(9)18)22-8-15(21)20-14-4-3-11(17)7-13(14)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyMVFTZBCYRIVKFI-UHFFFAOYSA-N
XLogP5.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.55
LogP ≤ 55.34
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

N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 91689078
N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
CID 3967654
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide
CID 1329877
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 2209028
N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 3872466
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 6308194
4-bromo-N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108539348
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119773
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide (CID 3608675) is N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2ccc(Br)cc2I)cc(C)c1Cl.
What is the InChIKey of N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is MVFTZBCYRIVKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClINO2/c1-9-5-12(6-10(2)16(9)18)22-8-15(21)20-14-4-3-11(17)7-13(14)19/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide has a molecular weight of 494.55 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 3608675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).