2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

C23H21Br2NO4 — CID 17123513

IUPAC2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C23H21Br2NO4/c1-16-12-17(24)13-21(25)23(16)30-15-22(27)26-18-6-5-9-20(14-18)29-11-10-28-19-7-3-2-4-8-19/h2-9,12-14H,10-11,15H2,1H3,(H,26,27)
InChIKeyMTZXRWSTWPBZDR-UHFFFAOYSA-N
MW535.23 g/mol
LogP6.00
Rot. Bonds9

About 2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 17123513) has the molecular formula C23H21Br2NO4 and a molecular weight of 535.23 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID17123513
Molecular FormulaC23H21Br2NO4
Molecular Weight535.23 g/mol
Exact Mass532.98
IUPAC Name2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C23H21Br2NO4/c1-16-12-17(24)13-21(25)23(16)30-15-22(27)26-18-6-5-9-20(14-18)29-11-10-28-19-7-3-2-4-8-19/h2-9,12-14H,10-11,15H2,1H3,(H,26,27)
InChIKeyMTZXRWSTWPBZDR-UHFFFAOYSA-N
XLogP6.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.23
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 17095038
N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17204542
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 17231402
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169811
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
2-(2,5-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123518
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17097631
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096701

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (CID 17123513) is 2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is MTZXRWSTWPBZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Br2NO4/c1-16-12-17(24)13-21(25)23(16)30-15-22(27)26-18-6-5-9-20(14-18)29-11-10-28-19-7-3-2-4-8-19/h2-9,12-14H,10-11,15H2,1H3,(H,26,27).
What are the key properties of 2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 535.23 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 17123513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).