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

C21H23BrN2O4 — CID 4782130

IUPAC4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C(C)=O)cc1
InChIInChI=1S/C21H23BrN2O4/c1-4-24(5-2)21(27)15-6-9-17(10-7-15)23-20(26)13-28-19-11-8-16(22)12-18(19)14(3)25/h6-12H,4-5,13H2,1-3H3,(H,23,26)
InChIKeyZKDKBCHFUPXFMV-UHFFFAOYSA-N
MW447.33 g/mol
LogP4.15
Rot. Bonds8

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

4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 4782130) has the molecular formula C21H23BrN2O4 and a molecular weight of 447.33 g/mol. Its IUPAC name is 4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
PubChem CID4782130
Molecular FormulaC21H23BrN2O4
Molecular Weight447.33 g/mol
Exact Mass446.08
IUPAC Name4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C(C)=O)cc1
InChIInChI=1S/C21H23BrN2O4/c1-4-24(5-2)21(27)15-6-9-17(10-7-15)23-20(26)13-28-19-11-8-16(22)12-18(19)14(3)25/h6-12H,4-5,13H2,1-3H3,(H,23,26)
InChIKeyZKDKBCHFUPXFMV-UHFFFAOYSA-N
XLogP4.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253
4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17196833
5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17196839
5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide
CID 2603913
N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 7721081
5-bromo-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide
CID 17197158
4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 8503681
5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide
CID 17196231
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide
CID 17234319
4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218745
2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 1015139

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide (CID 4782130) is 4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C(C)=O)cc1.
What is the InChIKey of 4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is ZKDKBCHFUPXFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O4/c1-4-24(5-2)21(27)15-6-9-17(10-7-15)23-20(26)13-28-19-11-8-16(22)12-18(19)14(3)25/h6-12H,4-5,13H2,1-3H3,(H,23,26).
What are the key properties of 4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide?
4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 447.33 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 4782130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).