N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide

C19H19Cl2N3O3 — CID 7999091

IUPACN-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C19H19Cl2N3O3/c1-24(12-18(26)23-14-7-8-15(20)16(21)10-14)19(27)11-22-17(25)9-13-5-3-2-4-6-13/h2-8,10H,9,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyLSLYFSHHUCTYRP-UHFFFAOYSA-N
MW408.29 g/mol
LogP2.75
Rot. Bonds7

About N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide

N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 7999091) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide
PubChem CID7999091
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC NameN-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C19H19Cl2N3O3/c1-24(12-18(26)23-14-7-8-15(20)16(21)10-14)19(27)11-22-17(25)9-13-5-3-2-4-6-13/h2-8,10H,9,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyLSLYFSHHUCTYRP-UHFFFAOYSA-N
XLogP2.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide (CID 7999091) is N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is LSLYFSHHUCTYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c1-24(12-18(26)23-14-7-8-15(20)16(21)10-14)19(27)11-22-17(25)9-13-5-3-2-4-6-13/h2-8,10H,9,11-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 408.29 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 7999091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).