2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide

C22H19Br2NO3 — CID 17066936

IUPAC2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C22H19Br2NO3/c23-17-6-11-21(20(24)14-17)28-15-22(26)25-18-7-9-19(10-8-18)27-13-12-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H,25,26)
InChIKeyRKNNCAKGNWDIBF-UHFFFAOYSA-N
MW505.21 g/mol
LogP5.85
Rot. Bonds8

About 2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide

2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide (PubChem CID 17066936) has the molecular formula C22H19Br2NO3 and a molecular weight of 505.21 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide
PubChem CID17066936
Molecular FormulaC22H19Br2NO3
Molecular Weight505.21 g/mol
Exact Mass502.97
IUPAC Name2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C22H19Br2NO3/c23-17-6-11-21(20(24)14-17)28-15-22(26)25-18-7-9-19(10-8-18)27-13-12-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H,25,26)
InChIKeyRKNNCAKGNWDIBF-UHFFFAOYSA-N
XLogP5.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.21
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130229
2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 17142159
2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 19201692
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17340502
2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 19201701
N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17233521
2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide
CID 3910734
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
CID 17067040
3-bromo-4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067024
3-bromo-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 54790774

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide (CID 17066936) is 2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide is O=C(COc1ccc(Br)cc1Br)Nc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide?
The InChIKey is RKNNCAKGNWDIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br2NO3/c23-17-6-11-21(20(24)14-17)28-15-22(26)25-18-7-9-19(10-8-18)27-13-12-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H,25,26).
What are the key properties of 2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide?
2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide has a molecular weight of 505.21 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide is sourced from PubChem (CID 17066936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).