3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide

C17H16BrFN2O3 — CID 32626849

IUPAC3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)COc2ccc(Br)cc2F)c1
InChIInChI=1S/C17H16BrFN2O3/c1-21(2)17(23)11-4-3-5-13(8-11)20-16(22)10-24-15-7-6-12(18)9-14(15)19/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyZGUHREVNMHKCTG-UHFFFAOYSA-N
MW395.23 g/mol
LogP3.31
Rot. Bonds5

About 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide

3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 32626849) has the molecular formula C17H16BrFN2O3 and a molecular weight of 395.23 g/mol. Its IUPAC name is 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID32626849
Molecular FormulaC17H16BrFN2O3
Molecular Weight395.23 g/mol
Exact Mass394.03
IUPAC Name3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)COc2ccc(Br)cc2F)c1
InChIInChI=1S/C17H16BrFN2O3/c1-21(2)17(23)11-4-3-5-13(8-11)20-16(22)10-24-15-7-6-12(18)9-14(15)19/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyZGUHREVNMHKCTG-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide
CID 29464616
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231792
2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7500246
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231891
4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253
2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 39278809
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
CID 26160615
3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222
2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide
CID 63598293
2-(4-bromo-2-fluorophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 29315593
N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 55523564

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide (CID 32626849) is 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)COc2ccc(Br)cc2F)c1.
What is the InChIKey of 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is ZGUHREVNMHKCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O3/c1-21(2)17(23)11-4-3-5-13(8-11)20-16(22)10-24-15-7-6-12(18)9-14(15)19/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 395.23 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 32626849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).