2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide

C16H14BrNO3 — CID 975229

IUPAC2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc(Br)cc2C=O)c1
InChIInChI=1S/C16H14BrNO3/c1-11-3-2-4-14(7-11)18-16(20)10-21-15-6-5-13(17)8-12(15)9-19/h2-9H,10H2,1H3,(H,18,20)
InChIKeyQYXMPUNFBPAZLD-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.59
Rot. Bonds5

About 2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide

2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide (PubChem CID 975229) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide
PubChem CID975229
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc(Br)cc2C=O)c1
InChIInChI=1S/C16H14BrNO3/c1-11-3-2-4-14(7-11)18-16(20)10-21-15-6-5-13(17)8-12(15)9-19/h2-9H,10H2,1H3,(H,18,20)
InChIKeyQYXMPUNFBPAZLD-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.59
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-cyanophenyl)acetamide
CID 7820172
5-bromo-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707260
2-[4-bromo-2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126056580
4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide
CID 7820218
2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 17202094
2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 7820166
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
2-(4-bromo-2-formylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7819961
2-(4-bromo-3-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 81494354
2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 103849996
2-(4-bromo-2-formylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7819897
N-(1,3-benzodioxol-5-yl)-2-(4-bromo-2-formylphenoxy)acetamide
CID 7820174

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide (CID 975229) is 2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2ccc(Br)cc2C=O)c1.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide?
The InChIKey is QYXMPUNFBPAZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-11-3-2-4-14(7-11)18-16(20)10-21-15-6-5-13(17)8-12(15)9-19/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide?
2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide has a molecular weight of 348.20 g/mol, XLogP of 3.59, 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-methylphenyl)acetamide is sourced from PubChem (CID 975229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).