N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide

C22H19BrN2O3 — CID 1256496

IUPACN-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H19BrN2O3/c23-17-6-12-20(13-7-17)28-15-22(27)25-19-10-8-18(9-11-19)24-21(26)14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyOUFORFRVSHOONH-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.65
Rot. Bonds7

About N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide

N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide (PubChem CID 1256496) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
PubChem CID1256496
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC NameN-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H19BrN2O3/c23-17-6-12-20(13-7-17)28-15-22(27)25-19-10-8-18(9-11-19)24-21(26)14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyOUFORFRVSHOONH-UHFFFAOYSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173418
2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide
CID 139879435
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
2-(4-bromophenoxy)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 55989555
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-phenylacetamide
CID 4505092
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide (CID 1256496) is N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide is O=C(COc1ccc(Br)cc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide?
The InChIKey is OUFORFRVSHOONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c23-17-6-12-20(13-7-17)28-15-22(27)25-19-10-8-18(9-11-19)24-21(26)14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide?
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide has a molecular weight of 439.31 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 1256496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).