2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide

C15H19BrN2O5 — CID 8582246

IUPAC2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCOc1cc(Br)c(C=O)cc1OCC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C15H19BrN2O5/c1-9(2)18-14(20)6-17-15(21)8-23-13-4-10(7-19)11(16)5-12(13)22-3/h4-5,7,9H,6,8H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyAHPIHCBEEHCODH-UHFFFAOYSA-N
MW387.23 g/mol
LogP1.29
Rot. Bonds8

About 2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide

2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 8582246) has the molecular formula C15H19BrN2O5 and a molecular weight of 387.23 g/mol. Its IUPAC name is 2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
PubChem CID8582246
Molecular FormulaC15H19BrN2O5
Molecular Weight387.23 g/mol
Exact Mass386.05
IUPAC Name2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCOc1cc(Br)c(C=O)cc1OCC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C15H19BrN2O5/c1-9(2)18-14(20)6-17-15(21)8-23-13-4-10(7-19)11(16)5-12(13)22-3/h4-5,7,9H,6,8H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyAHPIHCBEEHCODH-UHFFFAOYSA-N
XLogP1.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2S)-5-methylhexan-2-yl]acetamide
CID 8582263
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide
CID 7568725
(2S)-2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propylpropanamide
CID 8582245
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8582252
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7568704
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide
CID 7568980
2-(5-bromo-4-formyl-2-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 1309651
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7568660
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 8951230
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
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7568652

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide (CID 8582246) is 2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide is COc1cc(Br)c(C=O)cc1OCC(=O)NCC(=O)NC(C)C.
What is the InChIKey of 2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is AHPIHCBEEHCODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O5/c1-9(2)18-14(20)6-17-15(21)8-23-13-4-10(7-19)11(16)5-12(13)22-3/h4-5,7,9H,6,8H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 387.23 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8582246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).