2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide

C17H15BrCl2N2O2 — CID 34169565

IUPAC2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1Br
InChIInChI=1S/C17H15BrCl2N2O2/c1-2-22(17(24)11-6-3-4-7-12(11)18)10-15(23)21-16-13(19)8-5-9-14(16)20/h3-9H,2,10H2,1H3,(H,21,23)
InChIKeyCPOFBVDNTFYCTM-UHFFFAOYSA-N
MW430.13 g/mol
LogP4.86
Rot. Bonds5

About 2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide

2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide (PubChem CID 34169565) has the molecular formula C17H15BrCl2N2O2 and a molecular weight of 430.13 g/mol. Its IUPAC name is 2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
PubChem CID34169565
Molecular FormulaC17H15BrCl2N2O2
Molecular Weight430.13 g/mol
Exact Mass427.97
IUPAC Name2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1Br
InChIInChI=1S/C17H15BrCl2N2O2/c1-2-22(17(24)11-6-3-4-7-12(11)18)10-15(23)21-16-13(19)8-5-9-14(16)20/h3-9H,2,10H2,1H3,(H,21,23)
InChIKeyCPOFBVDNTFYCTM-UHFFFAOYSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.13
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 9094853
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 55760078
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1H-indole-2-carboxamide
CID 25313237
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide
CID 112802848
2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500775
2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
CID 4786420
2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 38369368

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide?
The IUPAC name of 2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide (CID 34169565) is 2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide?
The canonical SMILES for 2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide?
The InChIKey is CPOFBVDNTFYCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrCl2N2O2/c1-2-22(17(24)11-6-3-4-7-12(11)18)10-15(23)21-16-13(19)8-5-9-14(16)20/h3-9H,2,10H2,1H3,(H,21,23).
What are the key properties of 2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide?
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide has a molecular weight of 430.13 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide is sourced from PubChem (CID 34169565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).