4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide

C20H23BrN2O3 — CID 26157525

IUPAC4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)c(Br)c1
InChIInChI=1S/C20H23BrN2O3/c1-4-14-5-10-18(17(21)11-14)26-12-19(24)23-16-8-6-15(7-9-16)20(25)22-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQQZQMAUOOZYLCH-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.17
Rot. Bonds7

About 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide

4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 26157525) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID26157525
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)c(Br)c1
InChIInChI=1S/C20H23BrN2O3/c1-4-14-5-10-18(17(21)11-14)26-12-19(24)23-16-8-6-15(7-9-16)20(25)22-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQQZQMAUOOZYLCH-UHFFFAOYSA-N
XLogP4.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201882
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189191
2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 17130580
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
methyl 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201785
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930169
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-bromo-4-ethylphenoxy)acetamide
CID 1015110
3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197394
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141437
2-(2-bromo-4-ethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 99119931
2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 40965378

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide (CID 26157525) is 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide is CCc1ccc(OCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)c(Br)c1.
What is the InChIKey of 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is QQZQMAUOOZYLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-4-14-5-10-18(17(21)11-14)26-12-19(24)23-16-8-6-15(7-9-16)20(25)22-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 419.32 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 26157525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).