4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide

C20H23BrN2O3 — CID 17234385

IUPAC4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C20H23BrN2O3/c1-5-22-20(25)15-6-8-17(9-7-15)23-19(24)14(4)26-18-12(2)10-16(21)11-13(18)3/h6-11,14H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyUDVJIFDHIDQRSU-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.22
Rot. Bonds6

About 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide

4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide (PubChem CID 17234385) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide
PubChem CID17234385
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C20H23BrN2O3/c1-5-22-20(25)15-6-8-17(9-7-15)23-19(24)14(4)26-18-12(2)10-16(21)11-13(18)3/h6-11,14H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyUDVJIFDHIDQRSU-UHFFFAOYSA-N
XLogP4.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide
CID 17196225
N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4961142
N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide
CID 17251645
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43878391
N-benzyl-3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887141
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
N-ethyl-4-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17234371
N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17234372
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 42427236
3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 17233132
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4961087

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide?
The IUPAC name of 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide (CID 17234385) is 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide.
What is the SMILES notation for 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide?
The canonical SMILES for 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide is CCNC(=O)c1ccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1.
What is the InChIKey of 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide?
The InChIKey is UDVJIFDHIDQRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-5-22-20(25)15-6-8-17(9-7-15)23-19(24)14(4)26-18-12(2)10-16(21)11-13(18)3/h6-11,14H,5H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide?
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide has a molecular weight of 419.32 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide is sourced from PubChem (CID 17234385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).