N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide

C20H23Cl2N3O2 — CID 42911629

IUPACN-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCc1cccc(NC(=O)CN(C)C(C)C(=O)Nc2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C20H23Cl2N3O2/c1-12-6-5-7-17(13(12)2)23-19(26)11-25(4)14(3)20(27)24-18-10-15(21)8-9-16(18)22/h5-10,14H,11H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyCBFHCCJNPQATRI-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.51
Rot. Bonds6

About N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide

N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 42911629) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID42911629
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC NameN-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCc1cccc(NC(=O)CN(C)C(C)C(=O)Nc2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C20H23Cl2N3O2/c1-12-6-5-7-17(13(12)2)23-19(26)11-25(4)14(3)20(27)24-18-10-15(21)8-9-16(18)22/h5-10,14H,11H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyCBFHCCJNPQATRI-UHFFFAOYSA-N
XLogP4.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide (CID 42911629) is N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide is Cc1cccc(NC(=O)CN(C)C(C)C(=O)Nc2cc(Cl)ccc2Cl)c1C.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is CBFHCCJNPQATRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-12-6-5-7-17(13(12)2)23-19(26)11-25(4)14(3)20(27)24-18-10-15(21)8-9-16(18)22/h5-10,14H,11H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide?
N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 408.33 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 42911629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).