3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide

C24H21Cl2N3O3 — CID 55630794

IUPAC3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H21Cl2N3O3/c1-15-11-12-17(13-20(15)27-23(31)16-7-4-3-5-8-16)24(32)29(2)14-21(30)28-22-18(25)9-6-10-19(22)26/h3-13H,14H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyAPYOBHWAYJGIPZ-UHFFFAOYSA-N
MW470.36 g/mol
LogP5.26
Rot. Bonds6

About 3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide

3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide (PubChem CID 55630794) has the molecular formula C24H21Cl2N3O3 and a molecular weight of 470.36 g/mol. Its IUPAC name is 3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
PubChem CID55630794
Molecular FormulaC24H21Cl2N3O3
Molecular Weight470.36 g/mol
Exact Mass469.10
IUPAC Name3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H21Cl2N3O3/c1-15-11-12-17(13-20(15)27-23(31)16-7-4-3-5-8-16)24(32)29(2)14-21(30)28-22-18(25)9-6-10-19(22)26/h3-13H,14H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyAPYOBHWAYJGIPZ-UHFFFAOYSA-N
XLogP5.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.36
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 46472549
3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 38620709
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 9089493
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
CID 9431771
N-[2-chloro-5-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27807443
3-benzamido-N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55630958
N-[5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 9437515
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 17226451
3-benzamido-N,4-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 46409799
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 7942128

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide (CID 55630794) is 3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
The InChIKey is APYOBHWAYJGIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O3/c1-15-11-12-17(13-20(15)27-23(31)16-7-4-3-5-8-16)24(32)29(2)14-21(30)28-22-18(25)9-6-10-19(22)26/h3-13H,14H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide has a molecular weight of 470.36 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 55630794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).