4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide

C21H24Cl2N2O2 — CID 25313738

IUPAC4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H24Cl2N2O2/c1-5-25(13-18(26)24-19-16(22)7-6-8-17(19)23)20(27)14-9-11-15(12-10-14)21(2,3)4/h6-12H,5,13H2,1-4H3,(H,24,26)
InChIKeyWDYFDDUIYWECRO-UHFFFAOYSA-N
MW407.34 g/mol
LogP5.39
Rot. Bonds5

About 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide

4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide (PubChem CID 25313738) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
PubChem CID25313738
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H24Cl2N2O2/c1-5-25(13-18(26)24-19-16(22)7-6-8-17(19)23)20(27)14-9-11-15(12-10-14)21(2,3)4/h6-12H,5,13H2,1-4H3,(H,24,26)
InChIKeyWDYFDDUIYWECRO-UHFFFAOYSA-N
XLogP5.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.34
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607897
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide
CID 27744494
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001418
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-3-nitrobenzamide
CID 24553223
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17497686
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 25315753
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide
CID 24553245
2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137016807
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide
CID 46490871

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide?
The IUPAC name of 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide (CID 25313738) is 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide?
The InChIKey is WDYFDDUIYWECRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-5-25(13-18(26)24-19-16(22)7-6-8-17(19)23)20(27)14-9-11-15(12-10-14)21(2,3)4/h6-12H,5,13H2,1-4H3,(H,24,26).
What are the key properties of 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide?
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide has a molecular weight of 407.34 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide is sourced from PubChem (CID 25313738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).