2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide

C17H16Br2N2O3 — CID 4949434

IUPAC2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C17H16Br2N2O3/c1-2-20-17(23)12-5-3-4-6-14(12)21-16(22)10-24-15-8-7-11(18)9-13(15)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyAGDPEBPPOOYKOP-UHFFFAOYSA-N
MW456.13 g/mol
LogP3.98
Rot. Bonds6

About 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide

2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide (PubChem CID 4949434) has the molecular formula C17H16Br2N2O3 and a molecular weight of 456.13 g/mol. Its IUPAC name is 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
PubChem CID4949434
Molecular FormulaC17H16Br2N2O3
Molecular Weight456.13 g/mol
Exact Mass453.95
IUPAC Name2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C17H16Br2N2O3/c1-2-20-17(23)12-5-3-4-6-14(12)21-16(22)10-24-15-8-7-11(18)9-13(15)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyAGDPEBPPOOYKOP-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.13
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949446
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17350181
N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4936441
N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4942012
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150278
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17354006
2-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929765
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357318
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929767
3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342812

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide (CID 4949434) is 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide?
The InChIKey is AGDPEBPPOOYKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O3/c1-2-20-17(23)12-5-3-4-6-14(12)21-16(22)10-24-15-8-7-11(18)9-13(15)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide?
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide has a molecular weight of 456.13 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 4949434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).