4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide

C19H20BrFN2O3 — CID 34543253

IUPAC4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1
InChIInChI=1S/C19H20BrFN2O3/c1-3-23(4-2)19(25)13-5-8-15(9-6-13)22-18(24)12-26-17-10-7-14(20)11-16(17)21/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyUDMOASDAWDJJAJ-UHFFFAOYSA-N
MW423.28 g/mol
LogP4.09
Rot. Bonds7

About 4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide

4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 34543253) has the molecular formula C19H20BrFN2O3 and a molecular weight of 423.28 g/mol. Its IUPAC name is 4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
PubChem CID34543253
Molecular FormulaC19H20BrFN2O3
Molecular Weight423.28 g/mol
Exact Mass422.06
IUPAC Name4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1
InChIInChI=1S/C19H20BrFN2O3/c1-3-23(4-2)19(25)13-5-8-15(9-6-13)22-18(24)12-26-17-10-7-14(20)11-16(17)21/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyUDMOASDAWDJJAJ-UHFFFAOYSA-N
XLogP4.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17196833
4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 4782130
2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021804
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32626849
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140310
2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 25443427
2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 78774023
2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide
CID 37238606
5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17196839
N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 46686486
4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 8503681

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide (CID 34543253) is 4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is UDMOASDAWDJJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O3/c1-3-23(4-2)19(25)13-5-8-15(9-6-13)22-18(24)12-26-17-10-7-14(20)11-16(17)21/h5-11H,3-4,12H2,1-2H3,(H,22,24).
What are the key properties of 4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide?
4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 423.28 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 34543253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).