2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide

C18H21BrN2O2 — CID 1329079

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(N(C)C)cc2)cc(C)c1Br
InChIInChI=1S/C18H21BrN2O2/c1-12-9-16(10-13(2)18(12)19)23-11-17(22)20-14-5-7-15(8-6-14)21(3)4/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyMXLFTGAISRGRCW-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.15
Rot. Bonds5

About 2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide

2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 1329079) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID1329079
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(N(C)C)cc2)cc(C)c1Br
InChIInChI=1S/C18H21BrN2O2/c1-12-9-16(10-13(2)18(12)19)23-11-17(22)20-14-5-7-15(8-6-14)21(3)4/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyMXLFTGAISRGRCW-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978164
N-[4-(dimethylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 2443872
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide
CID 112988677
N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 887503
N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
CID 107722743
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7970608
N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
CID 1329159
N-[4-(dimethylamino)phenyl]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 110673431
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[4-(dimethylamino)phenyl]acetamide
CID 918515
2-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
CID 2194297
3-[2-[2-(2,4-dibromo-5-methylphenoxy)acetyl]hydrazinyl]-N-[4-(dimethylamino)phenyl]but-3-enamide
CID 3293783

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide (CID 1329079) is 2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccc(N(C)C)cc2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is MXLFTGAISRGRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-12-9-16(10-13(2)18(12)19)23-11-17(22)20-14-5-7-15(8-6-14)21(3)4/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide?
2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 377.28 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 1329079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).