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

C17H16BrClN2O3 — CID 17234319

IUPAC4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H16BrClN2O3/c1-2-20-17(23)11-3-6-13(7-4-11)21-16(22)10-24-15-8-5-12(18)9-14(15)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyJUSRCAAMENOMNM-UHFFFAOYSA-N
MW411.68 g/mol
LogP3.87
Rot. Bonds6

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

4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide (PubChem CID 17234319) has the molecular formula C17H16BrClN2O3 and a molecular weight of 411.68 g/mol. Its IUPAC name is 4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide
PubChem CID17234319
Molecular FormulaC17H16BrClN2O3
Molecular Weight411.68 g/mol
Exact Mass410.00
IUPAC Name4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H16BrClN2O3/c1-2-20-17(23)11-3-6-13(7-4-11)21-16(22)10-24-15-8-5-12(18)9-14(15)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyJUSRCAAMENOMNM-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9289895
4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218745
2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 1015139
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
CID 17222660
2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7313472
2-(4-bromo-2-chlorophenoxy)-N-(4-butan-2-ylphenyl)acetamide
CID 4623642
2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35365453
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 3650888
ethyl 5-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-chlorobenzoate
CID 92646634
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 16528162
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide (CID 17234319) is 4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide?
The InChIKey is JUSRCAAMENOMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O3/c1-2-20-17(23)11-3-6-13(7-4-11)21-16(22)10-24-15-8-5-12(18)9-14(15)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide?
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide has a molecular weight of 411.68 g/mol, XLogP of 3.87, 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-chlorophenoxy)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 17234319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).