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

C15H18BrNO4 — CID 7568980

IUPAC2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide
SMILESCOc1cc(Br)c(C=O)cc1OCC(=O)NC1CCCC1
InChIInChI=1S/C15H18BrNO4/c1-20-13-7-12(16)10(8-18)6-14(13)21-9-15(19)17-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,17,19)
InChIKeyJSYQSBGZRPMZEN-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.71
Rot. Bonds6

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

2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide (PubChem CID 7568980) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide
PubChem CID7568980
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide
SMILESCOc1cc(Br)c(C=O)cc1OCC(=O)NC1CCCC1
InChIInChI=1S/C15H18BrNO4/c1-20-13-7-12(16)10(8-18)6-14(13)21-9-15(19)17-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,17,19)
InChIKeyJSYQSBGZRPMZEN-UHFFFAOYSA-N
XLogP2.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.71
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-[(1R)-1-cyclopropylethyl]acetamide
CID 8582252
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide
CID 7568725
2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 8582246
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63324573
2-(5-bromo-4-formyl-2-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 1309651
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8582263
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
2-[(4-bromo-5-formyl-2-methoxyphenoxy)methyl]prop-2-enoic acid
CID 166429800
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7568900
(2S)-2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propylpropanamide
CID 8582245
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7568652
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide (CID 7568980) is 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide is COc1cc(Br)c(C=O)cc1OCC(=O)NC1CCCC1.
What is the InChIKey of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide?
The InChIKey is JSYQSBGZRPMZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c1-20-13-7-12(16)10(8-18)6-14(13)21-9-15(19)17-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,17,19).
What are the key properties of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide?
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide has a molecular weight of 356.22 g/mol, XLogP of 2.71, 6 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-cyclopentylacetamide is sourced from PubChem (CID 7568980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).