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

C28H23BrN2O4 — CID 17231401

IUPACN-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1
InChIInChI=1S/C28H23BrN2O4/c29-25-16-21(20-8-3-1-4-9-20)14-15-26(25)35-19-28(33)31-23-11-7-10-22(17-23)30-27(32)18-34-24-12-5-2-6-13-24/h1-17H,18-19H2,(H,30,32)(H,31,33)
InChIKeyJRWJSGLANCTJMD-UHFFFAOYSA-N
MW531.41 g/mol
LogP6.15
Rot. Bonds9

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

N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide (PubChem CID 17231401) has the molecular formula C28H23BrN2O4 and a molecular weight of 531.41 g/mol. Its IUPAC name is N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
PubChem CID17231401
Molecular FormulaC28H23BrN2O4
Molecular Weight531.41 g/mol
Exact Mass530.08
IUPAC NameN-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1
InChIInChI=1S/C28H23BrN2O4/c29-25-16-21(20-8-3-1-4-9-20)14-15-26(25)35-19-28(33)31-23-11-7-10-22(17-23)30-27(32)18-34-24-12-5-2-6-13-24/h1-17H,18-19H2,(H,30,32)(H,31,33)
InChIKeyJRWJSGLANCTJMD-UHFFFAOYSA-N
XLogP6.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.41
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269
2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 17097332
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231336
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17340502
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 46761925
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230760
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235437
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130961
2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130229
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194079

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide (CID 17231401) is N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1.
What is the InChIKey of N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
The InChIKey is JRWJSGLANCTJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrN2O4/c29-25-16-21(20-8-3-1-4-9-20)14-15-26(25)35-19-28(33)31-23-11-7-10-22(17-23)30-27(32)18-34-24-12-5-2-6-13-24/h1-17H,18-19H2,(H,30,32)(H,31,33).
What are the key properties of N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide?
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide has a molecular weight of 531.41 g/mol, XLogP of 6.15, 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-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 17231401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).