2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide

C12H16Cl2N4O2 — CID 103101399

IUPAC2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)CC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N4O2/c1-2-18(5-10(16)19)6-11(20)17-12-8(14)3-7(13)4-9(12)15/h3-4H,2,5-6,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyOPAODMJEOCWFSO-UHFFFAOYSA-N
MW319.19 g/mol
LogP1.32
Rot. Bonds6

About 2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide

2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide (PubChem CID 103101399) has the molecular formula C12H16Cl2N4O2 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide
PubChem CID103101399
Molecular FormulaC12H16Cl2N4O2
Molecular Weight319.19 g/mol
Exact Mass318.07
IUPAC Name2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)CC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N4O2/c1-2-18(5-10(16)19)6-11(20)17-12-8(14)3-7(13)4-9(12)15/h3-4H,2,5-6,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyOPAODMJEOCWFSO-UHFFFAOYSA-N
XLogP1.32
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
2-[[2-(2-amino-5-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101401
N-(2-amino-4,6-dichlorophenyl)-4-[ethyl(2-hydroxyethyl)amino]butanamide
CID 60981032
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540670
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295373
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide
CID 61304232
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
CID 43127069
N-(2-amino-4,6-dichlorophenyl)-4-propylsulfanylbutanamide
CID 29043327
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide
CID 43274116

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide?
The IUPAC name of 2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide (CID 103101399) is 2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide.
What is the SMILES notation for 2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide?
The canonical SMILES for 2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide is CCN(CC(N)=O)CC(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide?
The InChIKey is OPAODMJEOCWFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N4O2/c1-2-18(5-10(16)19)6-11(20)17-12-8(14)3-7(13)4-9(12)15/h3-4H,2,5-6,15H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide?
2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide has a molecular weight of 319.19 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide is sourced from PubChem (CID 103101399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).