2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide

C17H18BrFN2O2 — CID 55709588

IUPAC2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
SMILESCc1cc(N(C)C)ccc1NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C17H18BrFN2O2/c1-11-8-13(21(2)3)5-6-15(11)20-17(22)10-23-16-7-4-12(18)9-14(16)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyBCHQVJHLIAOLEG-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.98
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide

2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide (PubChem CID 55709588) has the molecular formula C17H18BrFN2O2 and a molecular weight of 381.25 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
PubChem CID55709588
Molecular FormulaC17H18BrFN2O2
Molecular Weight381.25 g/mol
Exact Mass380.05
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
SMILESCc1cc(N(C)C)ccc1NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C17H18BrFN2O2/c1-11-8-13(21(2)3)5-6-15(11)20-17(22)10-23-16-7-4-12(18)9-14(16)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyBCHQVJHLIAOLEG-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.98
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

2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971329
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971332
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32626849
2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 46651554
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273
2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide (CID 55709588) is 2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide is Cc1cc(N(C)C)ccc1NC(=O)COc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide?
The InChIKey is BCHQVJHLIAOLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O2/c1-11-8-13(21(2)3)5-6-15(11)20-17(22)10-23-16-7-4-12(18)9-14(16)19/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide?
2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide has a molecular weight of 381.25 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide is sourced from PubChem (CID 55709588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).