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

C22H18BrClN2O4 — CID 17231269

IUPACN-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C22H18BrClN2O4/c23-19-11-15(24)9-10-20(19)30-14-22(28)26-17-6-4-5-16(12-17)25-21(27)13-29-18-7-2-1-3-8-18/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyDLYBYSXEVZYAFU-UHFFFAOYSA-N
MW489.75 g/mol
LogP5.14
Rot. Bonds8

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

N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide (PubChem CID 17231269) has the molecular formula C22H18BrClN2O4 and a molecular weight of 489.75 g/mol. Its IUPAC name is N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
PubChem CID17231269
Molecular FormulaC22H18BrClN2O4
Molecular Weight489.75 g/mol
Exact Mass488.01
IUPAC NameN-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C22H18BrClN2O4/c23-19-11-15(24)9-10-20(19)30-14-22(28)26-17-6-4-5-16(12-17)25-21(27)13-29-18-7-2-1-3-8-18/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyDLYBYSXEVZYAFU-UHFFFAOYSA-N
XLogP5.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.75
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231336
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 25431218
2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7900662
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide
CID 2210119
2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
CID 5229732
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide (CID 17231269) is N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1.
What is the InChIKey of N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
The InChIKey is DLYBYSXEVZYAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN2O4/c23-19-11-15(24)9-10-20(19)30-14-22(28)26-17-6-4-5-16(12-17)25-21(27)13-29-18-7-2-1-3-8-18/h1-12H,13-14H2,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide has a molecular weight of 489.75 g/mol, XLogP of 5.14, 8 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-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 17231269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).