2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide

C18H19BrN2O3 — CID 4949446

IUPAC2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C18H19BrN2O3/c1-3-20-18(23)14-6-4-5-7-15(14)21-17(22)11-24-16-9-8-13(19)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyJQJSMUATOJNEPW-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.52
Rot. Bonds6

About 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide

2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide (PubChem CID 4949446) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide
PubChem CID4949446
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C18H19BrN2O3/c1-3-20-18(23)14-6-4-5-7-15(14)21-17(22)11-24-16-9-8-13(19)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyJQJSMUATOJNEPW-UHFFFAOYSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949434
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17354006
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17350181
N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 4937395
2-(4-bromo-2-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 1328520
4-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5176598
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357318
N-(2-aminoethyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603417
N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4936441
N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 17442660

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide (CID 4949446) is 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1C.
What is the InChIKey of 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide?
The InChIKey is JQJSMUATOJNEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-3-20-18(23)14-6-4-5-7-15(14)21-17(22)11-24-16-9-8-13(19)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide?
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide has a molecular weight of 391.27 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 4949446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).