N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide

C24H23BrN2O4 — CID 17231336

IUPACN-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)c(Br)c1
InChIInChI=1S/C24H23BrN2O4/c1-2-17-11-12-22(21(25)13-17)31-16-24(29)27-19-8-6-7-18(14-19)26-23(28)15-30-20-9-4-3-5-10-20/h3-14H,2,15-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyFZHNHNNKHYOMMF-UHFFFAOYSA-N
MW483.36 g/mol
LogP5.05
Rot. Bonds9

About N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide

N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide (PubChem CID 17231336) has the molecular formula C24H23BrN2O4 and a molecular weight of 483.36 g/mol. Its IUPAC name is N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
PubChem CID17231336
Molecular FormulaC24H23BrN2O4
Molecular Weight483.36 g/mol
Exact Mass482.08
IUPAC NameN-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)c(Br)c1
InChIInChI=1S/C24H23BrN2O4/c1-2-17-11-12-22(21(25)13-17)31-16-24(29)27-19-8-6-7-18(14-19)26-23(28)15-30-20-9-4-3-5-10-20/h3-14H,2,15-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyFZHNHNNKHYOMMF-UHFFFAOYSA-N
XLogP5.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.36
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189191
2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086692
methyl 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201785
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
2-(2-bromo-4-ethylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130889
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221948
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222658
2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 17130580
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
2-(2-bromo-4-ethylphenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 26157958

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide (CID 17231336) is N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide is CCc1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)c(Br)c1.
What is the InChIKey of N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
The InChIKey is FZHNHNNKHYOMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O4/c1-2-17-11-12-22(21(25)13-17)31-16-24(29)27-19-8-6-7-18(14-19)26-23(28)15-30-20-9-4-3-5-10-20/h3-14H,2,15-16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide has a molecular weight of 483.36 g/mol, XLogP of 5.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 17231336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).