2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide

C23H20BrClN2O3 — CID 4929767

IUPAC2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C23H20BrClN2O3/c24-17-10-11-21(19(25)14-17)30-15-22(28)27-20-9-5-4-8-18(20)23(29)26-13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,26,29)(H,27,28)
InChIKeyQVDMVFSLPCZMQH-UHFFFAOYSA-N
MW487.78 g/mol
LogP5.09
Rot. Bonds8

About 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide

2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 4929767) has the molecular formula C23H20BrClN2O3 and a molecular weight of 487.78 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID4929767
Molecular FormulaC23H20BrClN2O3
Molecular Weight487.78 g/mol
Exact Mass486.03
IUPAC Name2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C23H20BrClN2O3/c24-17-10-11-21(19(25)14-17)30-15-22(28)27-20-9-5-4-8-18(20)23(29)26-13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,26,29)(H,27,28)
InChIKeyQVDMVFSLPCZMQH-UHFFFAOYSA-N
XLogP5.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.78
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 17188917
2-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929765
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929756
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 17442660
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949434
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150278
2-(4-bromo-2-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 2234948
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939
2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 17142159
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29446930
N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 56516276

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide (CID 4929767) is 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide is O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is QVDMVFSLPCZMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrClN2O3/c24-17-10-11-21(19(25)14-17)30-15-22(28)27-20-9-5-4-8-18(20)23(29)26-13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 487.78 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 4929767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).