2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide

C15H10BrCl2NO3 — CID 17202094

IUPAC2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
SMILESO=Cc1cc(Br)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10BrCl2NO3/c16-10-1-2-14(9(3-10)7-20)22-8-15(21)19-13-5-11(17)4-12(18)6-13/h1-7H,8H2,(H,19,21)
InChIKeyFKFLXNLVBBBNKG-UHFFFAOYSA-N
MW403.06 g/mol
LogP4.59
Rot. Bonds5

About 2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide

2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide (PubChem CID 17202094) has the molecular formula C15H10BrCl2NO3 and a molecular weight of 403.06 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
PubChem CID17202094
Molecular FormulaC15H10BrCl2NO3
Molecular Weight403.06 g/mol
Exact Mass400.92
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
SMILESO=Cc1cc(Br)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10BrCl2NO3/c16-10-1-2-14(9(3-10)7-20)22-8-15(21)19-13-5-11(17)4-12(18)6-13/h1-7H,8H2,(H,19,21)
InChIKeyFKFLXNLVBBBNKG-UHFFFAOYSA-N
XLogP4.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.06
LogP ≤ 54.59
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-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 975229
4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide
CID 7820218
N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
CID 107697645
2-(4-bromo-2-formylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8862958
2-(4-bromo-2-formylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7819897
2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide
CID 7820172
N-(1,3-benzodioxol-5-yl)-2-(4-bromo-2-formylphenoxy)acetamide
CID 7820174
2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 7820166
N'-[(Z)-[5-bromo-2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126182068
2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 18284474
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide
CID 7819916

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide (CID 17202094) is 2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide is O=Cc1cc(Br)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is FKFLXNLVBBBNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2NO3/c16-10-1-2-14(9(3-10)7-20)22-8-15(21)19-13-5-11(17)4-12(18)6-13/h1-7H,8H2,(H,19,21).
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide?
2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 403.06 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 17202094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).