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

C19H19Cl2N3O3 — CID 46472549

IUPAC3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
SMILESCC(=O)Nc1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)ccc1C
InChIInChI=1S/C19H19Cl2N3O3/c1-11-7-8-13(9-16(11)22-12(2)25)19(27)24(3)10-17(26)23-18-14(20)5-4-6-15(18)21/h4-9H,10H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyIAGKWIDLCLCLNJ-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.97
Rot. Bonds5

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

3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide (PubChem CID 46472549) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is 3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
PubChem CID46472549
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC Name3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
SMILESCC(=O)Nc1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)ccc1C
InChIInChI=1S/C19H19Cl2N3O3/c1-11-7-8-13(9-16(11)22-12(2)25)19(27)24(3)10-17(26)23-18-14(20)5-4-6-15(18)21/h4-9H,10H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyIAGKWIDLCLCLNJ-UHFFFAOYSA-N
XLogP3.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 55630794
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
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 2672632
N-[2-chloro-5-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27807443
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 7942128
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 24688082
3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 38620709
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-nitrobenzamide
CID 40605982

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide (CID 46472549) is 3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide is CC(=O)Nc1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)ccc1C.
What is the InChIKey of 3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
The InChIKey is IAGKWIDLCLCLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c1-11-7-8-13(9-16(11)22-12(2)25)19(27)24(3)10-17(26)23-18-14(20)5-4-6-15(18)21/h4-9H,10H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide has a molecular weight of 408.29 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 46472549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).