N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide

C17H16BrClN2O3 — CID 2083878

IUPACN-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H16BrClN2O3/c1-11-7-13(18)8-14(19)16(11)24-10-15(22)21-17(23)20-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H2,20,21,22,23)
InChIKeyLLNYFOBHVCZSET-UHFFFAOYSA-N
MW411.68 g/mol
LogP3.82
Rot. Bonds5

About N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide

N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide (PubChem CID 2083878) has the molecular formula C17H16BrClN2O3 and a molecular weight of 411.68 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
PubChem CID2083878
Molecular FormulaC17H16BrClN2O3
Molecular Weight411.68 g/mol
Exact Mass410.00
IUPAC NameN-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H16BrClN2O3/c1-11-7-13(18)8-14(19)16(11)24-10-15(22)21-17(23)20-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H2,20,21,22,23)
InChIKeyLLNYFOBHVCZSET-UHFFFAOYSA-N
XLogP3.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide (CID 2083878) is N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide is Cc1cc(Br)cc(Cl)c1OCC(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide?
The InChIKey is LLNYFOBHVCZSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O3/c1-11-7-13(18)8-14(19)16(11)24-10-15(22)21-17(23)20-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H2,20,21,22,23).
What are the key properties of N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide?
N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide has a molecular weight of 411.68 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide is sourced from PubChem (CID 2083878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).