2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide

C11H12BrNO4 — CID 7568725

IUPAC2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1cc(C=O)c(Br)cc1OC
InChIInChI=1S/C11H12BrNO4/c1-13-11(15)6-17-10-3-7(5-14)8(12)4-9(10)16-2/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeySITNWCJWOLMFHC-UHFFFAOYSA-N
MW302.12 g/mol
LogP1.39
Rot. Bonds5

About 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide

2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide (PubChem CID 7568725) has the molecular formula C11H12BrNO4 and a molecular weight of 302.12 g/mol. Its IUPAC name is 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide
PubChem CID7568725
Molecular FormulaC11H12BrNO4
Molecular Weight302.12 g/mol
Exact Mass300.99
IUPAC Name2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1cc(C=O)c(Br)cc1OC
InChIInChI=1S/C11H12BrNO4/c1-13-11(15)6-17-10-3-7(5-14)8(12)4-9(10)16-2/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeySITNWCJWOLMFHC-UHFFFAOYSA-N
XLogP1.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide
CID 7568980
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8582263
2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 8582246
2-(5-bromo-4-formyl-2-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 1309651
(2S)-2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propylpropanamide
CID 8582245
2-[(4-bromo-5-formyl-2-methoxyphenoxy)methyl]prop-2-enoic acid
CID 166429800
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8582252
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7568900
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7568652
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7568704
2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde
CID 16637937
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7568660

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide?
The IUPAC name of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide (CID 7568725) is 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide is CNC(=O)COc1cc(C=O)c(Br)cc1OC.
What is the InChIKey of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide?
The InChIKey is SITNWCJWOLMFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO4/c1-13-11(15)6-17-10-3-7(5-14)8(12)4-9(10)16-2/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide?
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide has a molecular weight of 302.12 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide is sourced from PubChem (CID 7568725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).