N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide

C15H10Br2ClNO3 — CID 23740858

IUPACN-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C15H10Br2ClNO3/c16-10-2-3-13(12(18)6-10)19-15(21)8-22-14-4-1-9(7-20)5-11(14)17/h1-7H,8H2,(H,19,21)
InChIKeyAELBOTBAASIFOD-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.70
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide

N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide (PubChem CID 23740858) has the molecular formula C15H10Br2ClNO3 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide
PubChem CID23740858
Molecular FormulaC15H10Br2ClNO3
Molecular Weight447.51 g/mol
Exact Mass444.87
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C15H10Br2ClNO3/c16-10-2-3-13(12(18)6-10)19-15(21)8-22-14-4-1-9(7-20)5-11(14)17/h1-7H,8H2,(H,19,21)
InChIKeyAELBOTBAASIFOD-UHFFFAOYSA-N
XLogP4.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 3955556
2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
N-(4-amino-2-chlorophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 28510783
N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971332
2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7894136
2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7611792
2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 17202192
2-(2-bromo-4-formylphenoxy)-N-propylacetamide
CID 55025685
2-(2,4-dibromophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2632796
2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid
CID 60662460
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(2,4-dichlorophenyl)acetamide
CID 3380159

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide (CID 23740858) is N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide is O=Cc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)c(Br)c1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide?
The InChIKey is AELBOTBAASIFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClNO3/c16-10-2-3-13(12(18)6-10)19-15(21)8-22-14-4-1-9(7-20)5-11(14)17/h1-7H,8H2,(H,19,21).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide?
N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide has a molecular weight of 447.51 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide is sourced from PubChem (CID 23740858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).