2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide

C17H17BrN2O3 — CID 31857859

IUPAC2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(CC(N)=O)cc2)c(Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-11-2-7-15(14(18)8-11)23-10-17(22)20-13-5-3-12(4-6-13)9-16(19)21/h2-8H,9-10H2,1H3,(H2,19,21)(H,20,22)
InChIKeyQITGVVFBBSOMEI-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.80
Rot. Bonds6

About 2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide

2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide (PubChem CID 31857859) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide
PubChem CID31857859
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(CC(N)=O)cc2)c(Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-11-2-7-15(14(18)8-11)23-10-17(22)20-13-5-3-12(4-6-13)9-16(19)21/h2-8H,9-10H2,1H3,(H2,19,21)(H,20,22)
InChIKeyQITGVVFBBSOMEI-UHFFFAOYSA-N
XLogP2.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 5210106
3-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 46760362
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
ethyl (E)-3-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]prop-2-enoate
CID 24529994
hexyl 4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]benzoate
CID 19170367
2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1363827
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364916
N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 4928938
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 3288534
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide (CID 31857859) is 2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(CC(N)=O)cc2)c(Br)c1.
What is the InChIKey of 2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide?
The InChIKey is QITGVVFBBSOMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-2-7-15(14(18)8-11)23-10-17(22)20-13-5-3-12(4-6-13)9-16(19)21/h2-8H,9-10H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide?
2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide has a molecular weight of 377.24 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 31857859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).