N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide

C19H20Cl3N3O2 — CID 112804401

IUPACN-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H20Cl3N3O2/c1-3-25(11-17(26)24-18-14(21)8-6-9-15(18)22)12(2)19(27)23-16-10-5-4-7-13(16)20/h4-10,12H,3,11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyXWIGESSKOCJXFP-UHFFFAOYSA-N
MW428.75 g/mol
LogP4.93
Rot. Bonds7

About N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide

N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide (PubChem CID 112804401) has the molecular formula C19H20Cl3N3O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide
PubChem CID112804401
Molecular FormulaC19H20Cl3N3O2
Molecular Weight428.75 g/mol
Exact Mass427.06
IUPAC NameN-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H20Cl3N3O2/c1-3-25(11-17(26)24-18-14(21)8-6-9-15(18)22)12(2)19(27)23-16-10-5-4-7-13(16)20/h4-10,12H,3,11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyXWIGESSKOCJXFP-UHFFFAOYSA-N
XLogP4.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 112798504
N-(2,5-dichlorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769409
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
CID 51171051
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 40746002
N-(2,4-dichlorophenyl)-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769404
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide
CID 56538645
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide
CID 103101404
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 46561666
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-phenylacetamide
CID 34925634
2-[acetyl(1-phenylethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113162118

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide (CID 112804401) is N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(C)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide?
The InChIKey is XWIGESSKOCJXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O2/c1-3-25(11-17(26)24-18-14(21)8-6-9-15(18)22)12(2)19(27)23-16-10-5-4-7-13(16)20/h4-10,12H,3,11H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide?
N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide has a molecular weight of 428.75 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide is sourced from PubChem (CID 112804401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).