2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide

C17H16Br2N2O3 — CID 2632532

IUPAC2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)COc2ccc(Br)cc2Br)c(C)c1
InChIInChI=1S/C17H16Br2N2O3/c1-10-3-5-14(11(2)7-10)20-17(23)21-16(22)9-24-15-6-4-12(18)8-13(15)19/h3-8H,9H2,1-2H3,(H2,20,21,22,23)
InChIKeyBAWCGTQHOBIAOX-UHFFFAOYSA-N
MW456.13 g/mol
LogP4.56
Rot. Bonds4

About 2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide

2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (PubChem CID 2632532) has the molecular formula C17H16Br2N2O3 and a molecular weight of 456.13 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
PubChem CID2632532
Molecular FormulaC17H16Br2N2O3
Molecular Weight456.13 g/mol
Exact Mass453.95
IUPAC Name2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)COc2ccc(Br)cc2Br)c(C)c1
InChIInChI=1S/C17H16Br2N2O3/c1-10-3-5-14(11(2)7-10)20-17(23)21-16(22)9-24-15-6-4-12(18)8-13(15)19/h3-8H,9H2,1-2H3,(H2,20,21,22,23)
InChIKeyBAWCGTQHOBIAOX-UHFFFAOYSA-N
XLogP4.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.13
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2500686
[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 2-(2,4-dibromophenoxy)acetate
CID 19179693
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide
CID 38879134
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-bromobenzoate
CID 2625552
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
2-(2-acetylphenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 112781528
2-(2,4-dibromophenoxy)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide
CID 3313302
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
2-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethoxy]benzamide
CID 7199369
2-(2,4-dibromophenoxy)-N-[(3,5-dimethylphenyl)carbamothioyl]acetamide
CID 3313169
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (CID 2632532) is 2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is Cc1ccc(NC(=O)NC(=O)COc2ccc(Br)cc2Br)c(C)c1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The InChIKey is BAWCGTQHOBIAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O3/c1-10-3-5-14(11(2)7-10)20-17(23)21-16(22)9-24-15-6-4-12(18)8-13(15)19/h3-8H,9H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide has a molecular weight of 456.13 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 2632532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).