N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide

C15H12BrNO3 — CID 7128222

IUPACN-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
SMILESO=Cc1ccccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO3/c16-12-5-7-13(8-6-12)17-15(19)10-20-14-4-2-1-3-11(14)9-18/h1-9H,10H2,(H,17,19)
InChIKeyLCRWWVARMBRUDD-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.28
Rot. Bonds5

About N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide

N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide (PubChem CID 7128222) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
PubChem CID7128222
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC NameN-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
SMILESO=Cc1ccccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO3/c16-12-5-7-13(8-6-12)17-15(19)10-20-14-4-2-1-3-11(14)9-18/h1-9H,10H2,(H,17,19)
InChIKeyLCRWWVARMBRUDD-UHFFFAOYSA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.28
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

N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
CID 107697645
N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide
CID 17202089
N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide
CID 115955676
N-[4-(azepan-1-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 9009767
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide
CID 7762710
4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide
CID 7820218
N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide
CID 7763002
2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide
CID 60905403
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
N'-[(Z)-[2-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126175058
2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 975229
2-(4-bromo-2-formylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8862958

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide (CID 7128222) is N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide is O=Cc1ccccc1OCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide?
The InChIKey is LCRWWVARMBRUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c16-12-5-7-13(8-6-12)17-15(19)10-20-14-4-2-1-3-11(14)9-18/h1-9H,10H2,(H,17,19).
What are the key properties of N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide?
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide has a molecular weight of 334.17 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide is sourced from PubChem (CID 7128222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).