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

C15H12BrNO3 — CID 23410083

IUPACN-(2-bromophenyl)-2-(4-formylphenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C15H12BrNO3/c16-13-3-1-2-4-14(13)17-15(19)10-20-12-7-5-11(9-18)6-8-12/h1-9H,10H2,(H,17,19)
InChIKeyIBAGMLWSFJMUCQ-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.28
Rot. Bonds5

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

N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide (PubChem CID 23410083) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-formylphenoxy)acetamide
PubChem CID23410083
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC NameN-(2-bromophenyl)-2-(4-formylphenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C15H12BrNO3/c16-13-3-1-2-4-14(13)17-15(19)10-20-12-7-5-11(9-18)6-8-12/h1-9H,10H2,(H,17,19)
InChIKeyIBAGMLWSFJMUCQ-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-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
CID 1193865
N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
CID 42989399
N-(2-bromophenyl)-2-(4-propylphenoxy)acetamide
CID 19180395
2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide
CID 177288010
N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40666712
N-[2-(azepan-1-yl)phenyl]-2-(4-formylphenoxy)acetamide
CID 78878320
2-(4-formylphenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 78761860
N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107171288
N-(2-bromophenyl)-2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781844
N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409164
N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180400
N-(2-bromophenyl)-2-quinolin-6-yloxyacetamide
CID 112978725

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide (CID 23410083) is N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide is O=Cc1ccc(OCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide?
The InChIKey is IBAGMLWSFJMUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c16-13-3-1-2-4-14(13)17-15(19)10-20-12-7-5-11(9-18)6-8-12/h1-9H,10H2,(H,17,19).
What are the key properties of N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide?
N-(2-bromophenyl)-2-(4-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-(2-bromophenyl)-2-(4-formylphenoxy)acetamide is sourced from PubChem (CID 23410083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).