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

C18H18BrClN2O4 — CID 17150278

IUPAC2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C18H18BrClN2O4/c1-25-9-8-21-18(24)13-4-2-3-5-15(13)22-17(23)11-26-16-7-6-12(20)10-14(16)19/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyQPJKPGDGDUQFHL-UHFFFAOYSA-N
MW441.71 g/mol
LogP3.50
Rot. Bonds8

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

2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 17150278) has the molecular formula C18H18BrClN2O4 and a molecular weight of 441.71 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID17150278
Molecular FormulaC18H18BrClN2O4
Molecular Weight441.71 g/mol
Exact Mass440.01
IUPAC Name2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C18H18BrClN2O4/c1-25-9-8-21-18(24)13-4-2-3-5-15(13)22-17(23)11-26-16-7-6-12(20)10-14(16)19/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyQPJKPGDGDUQFHL-UHFFFAOYSA-N
XLogP3.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.71
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 4932228
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949434
N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 4941879
2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150400
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929767
2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 100536807
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-(3-methoxypropyl)benzamide
CID 17148367
2-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929765
2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 1213643

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide (CID 17150278) is 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is QPJKPGDGDUQFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O4/c1-25-9-8-21-18(24)13-4-2-3-5-15(13)22-17(23)11-26-16-7-6-12(20)10-14(16)19/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide?
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 441.71 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 17150278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).