2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide

C18H18BrFN2O3 — CID 34648970

IUPAC2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C18H18BrFN2O3/c1-2-12-5-3-4-6-15(12)22-17(23)10-21-18(24)11-25-16-8-7-13(20)9-14(16)19/h3-9H,2,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyMMXQBUQGMYCIHE-UHFFFAOYSA-N
MW409.26 g/mol
LogP3.28
Rot. Bonds7

About 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide (PubChem CID 34648970) has the molecular formula C18H18BrFN2O3 and a molecular weight of 409.26 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
PubChem CID34648970
Molecular FormulaC18H18BrFN2O3
Molecular Weight409.26 g/mol
Exact Mass408.05
IUPAC Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C18H18BrFN2O3/c1-2-12-5-3-4-6-15(12)22-17(23)10-21-18(24)11-25-16-8-7-13(20)9-14(16)19/h3-9H,2,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyMMXQBUQGMYCIHE-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide
CID 34648957
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 31127033
methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate
CID 8807995
2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8699125
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335548
N-(2-bromophenyl)-2-[[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 8503107
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197473
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide (CID 34648970) is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CNC(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide?
The InChIKey is MMXQBUQGMYCIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3/c1-2-12-5-3-4-6-15(12)22-17(23)10-21-18(24)11-25-16-8-7-13(20)9-14(16)19/h3-9H,2,10-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide?
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide has a molecular weight of 409.26 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 34648970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).