2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide

C12H17ClN4O2 — CID 103101383

IUPAC2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)CC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-2-17(6-11(15)18)7-12(19)16-10-5-8(14)3-4-9(10)13/h3-5H,2,6-7,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyLIAQXBOQJCUXLO-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.67
Rot. Bonds6

About 2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide

2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide (PubChem CID 103101383) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
PubChem CID103101383
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)CC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-2-17(6-11(15)18)7-12(19)16-10-5-8(14)3-4-9(10)13/h3-5H,2,6-7,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyLIAQXBOQJCUXLO-UHFFFAOYSA-N
XLogP0.67
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.67
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

2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921849
2-[[2-(2-amino-5-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101401
N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide
CID 103101430
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924177
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922
N-(4-amino-2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384076
2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101399
N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43376037
N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 43613723
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-N-methylanilino)acetamide
CID 107733825
N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide
CID 61303832

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide?
The IUPAC name of 2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide (CID 103101383) is 2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide.
What is the SMILES notation for 2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide?
The canonical SMILES for 2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide is CCN(CC(N)=O)CC(=O)Nc1cc(N)ccc1Cl.
What is the InChIKey of 2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide?
The InChIKey is LIAQXBOQJCUXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-2-17(6-11(15)18)7-12(19)16-10-5-8(14)3-4-9(10)13/h3-5H,2,6-7,14H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide?
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide has a molecular weight of 284.75 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide is sourced from PubChem (CID 103101383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).