2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide

C16H13BrFNO4 — CID 7568652

IUPAC2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide
SMILESCOc1cc(Br)c(C=O)cc1OCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H13BrFNO4/c1-22-14-7-13(17)10(8-20)5-15(14)23-9-16(21)19-12-4-2-3-11(18)6-12/h2-8H,9H2,1H3,(H,19,21)
InChIKeyIRKXVWURTQOTTN-UHFFFAOYSA-N
MW382.19 g/mol
LogP3.43
Rot. Bonds6

About 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide

2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide (PubChem CID 7568652) has the molecular formula C16H13BrFNO4 and a molecular weight of 382.19 g/mol. Its IUPAC name is 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide
PubChem CID7568652
Molecular FormulaC16H13BrFNO4
Molecular Weight382.19 g/mol
Exact Mass381.00
IUPAC Name2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide
SMILESCOc1cc(Br)c(C=O)cc1OCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H13BrFNO4/c1-22-14-7-13(17)10(8-20)5-15(14)23-9-16(21)19-12-4-2-3-11(18)6-12/h2-8H,9H2,1H3,(H,19,21)
InChIKeyIRKXVWURTQOTTN-UHFFFAOYSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.19
LogP ≤ 53.43
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-(3,4-difluorophenyl)acetamide
CID 7568900
2-(5-bromo-4-formyl-2-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 1309651
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide
CID 7568725
2-(2,6-dimethoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7612567
2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide
CID 57365578
methyl 3-bromo-4-[2-(3-fluoroanilino)-2-oxoethoxy]benzoate
CID 36533330
2-(2-ethoxy-4-formylphenoxy)-N-(3-fluorophenyl)acetamide
CID 8009500
N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960384
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7568660
N-(3-fluorophenyl)-2-[[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585220
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide
CID 7568980
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7568704

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide (CID 7568652) is 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide is COc1cc(Br)c(C=O)cc1OCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide?
The InChIKey is IRKXVWURTQOTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO4/c1-22-14-7-13(17)10(8-20)5-15(14)23-9-16(21)19-12-4-2-3-11(18)6-12/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide?
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(3-fluorophenyl)acetamide has a molecular weight of 382.19 g/mol, XLogP of 3.43, 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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 7568652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).