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

C23H21BrN2O3 — CID 17230760

IUPAC3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1
InChIInChI=1S/C23H21BrN2O3/c1-2-25-23(28)18-9-6-10-19(13-18)26-22(27)15-29-21-12-11-17(14-20(21)24)16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyVMANYUFWSADYKV-UHFFFAOYSA-N
MW453.34 g/mol
LogP4.88
Rot. Bonds7

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

3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide (PubChem CID 17230760) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide
PubChem CID17230760
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC Name3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1
InChIInChI=1S/C23H21BrN2O3/c1-2-25-23(28)18-9-6-10-19(13-18)26-22(27)15-29-21-12-11-17(14-20(21)24)16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyVMANYUFWSADYKV-UHFFFAOYSA-N
XLogP4.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230671
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17222016
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 43877944
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235437
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893
3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide
CID 26000335
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222636
2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 28637588
N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 17196920
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222658
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 46761925

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide (CID 17230760) is 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1.
What is the InChIKey of 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide?
The InChIKey is VMANYUFWSADYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-2-25-23(28)18-9-6-10-19(13-18)26-22(27)15-29-21-12-11-17(14-20(21)24)16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide?
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide has a molecular weight of 453.34 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 17230760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).