N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide

C18H19Cl2N3O2 — CID 9431771

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-22(2)13-7-4-6-12(10-13)18(25)23(3)11-16(24)21-17-14(19)8-5-9-15(17)20/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyZATPNFZGKMKMCT-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide (PubChem CID 9431771) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
PubChem CID9431771
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-22(2)13-7-4-6-12(10-13)18(25)23(3)11-16(24)21-17-14(19)8-5-9-15(17)20/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyZATPNFZGKMKMCT-UHFFFAOYSA-N
XLogP3.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 7942128
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 46472549
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 24688082
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 9089493
3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 55630794
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 40605982
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 27807402
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 9089491

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide (CID 9431771) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide?
The InChIKey is ZATPNFZGKMKMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-22(2)13-7-4-6-12(10-13)18(25)23(3)11-16(24)21-17-14(19)8-5-9-15(17)20/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide has a molecular weight of 380.28 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide is sourced from PubChem (CID 9431771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).