2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide

C19H19BrN2O4 — CID 2621364

IUPAC2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C19H19BrN2O4/c1-12-9-15(20)5-8-17(12)22-18(24)10-21-19(25)11-26-16-6-3-14(4-7-16)13(2)23/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyZDAKJUGTEUPSRP-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.09
Rot. Bonds7

About 2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide

2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 2621364) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is 2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID2621364
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C19H19BrN2O4/c1-12-9-15(20)5-8-17(12)22-18(24)10-21-19(25)11-26-16-6-3-14(4-7-16)13(2)23/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyZDAKJUGTEUPSRP-UHFFFAOYSA-N
XLogP3.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 2632099
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
ethyl 4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]benzoate
CID 34568390
2-(2-acetamido-5-acetylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 24534074
2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide
CID 30867221
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
4-(4-acetylphenoxy)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylbutanamide
CID 26904768
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 16502357
N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112828009
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573753
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 26712863
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501031

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide (CID 2621364) is 2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide is CC(=O)c1ccc(OCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of 2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is ZDAKJUGTEUPSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-12-9-15(20)5-8-17(12)22-18(24)10-21-19(25)11-26-16-6-3-14(4-7-16)13(2)23/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide?
2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 419.28 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 2621364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).