2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide

C10H14ClN3O2 — CID 106234293

IUPAC2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1ccc(N)cc1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-5-7(12)1-2-9(8)14-3-4-16-6-10(13)15/h1-2,5,14H,3-4,6,12H2,(H2,13,15)
InChIKeyLCCPHWDXEFPQQH-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.84
Rot. Bonds6

About 2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide

2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide (PubChem CID 106234293) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide
PubChem CID106234293
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1ccc(N)cc1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-5-7(12)1-2-9(8)14-3-4-16-6-10(13)15/h1-2,5,14H,3-4,6,12H2,(H2,13,15)
InChIKeyLCCPHWDXEFPQQH-UHFFFAOYSA-N
XLogP0.84
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 19807713
2-[2-(2-amino-3-methylanilino)ethoxy]acetamide
CID 106234418
2-[2-[(4-amino-2-pyridinyl)amino]ethoxy]acetamide
CID 106234601
2-chloro-1-N-propylbenzene-1,4-diamine
CID 28902196
3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide
CID 106234375
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide
CID 106233330
2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide
CID 106239649
2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide
CID 106234436
2-[2-(4-carbamothioyl-3-chloroanilino)ethoxy]acetamide
CID 106237332
1-N-butyl-2-chlorobenzene-1,4-diamine
CID 20565180
2-(4-amino-2-chloroanilino)ethanol;sulfuric acid
CID 70564055
2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233837

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide?
The IUPAC name of 2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide (CID 106234293) is 2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide is NC(=O)COCCNc1ccc(N)cc1Cl.
What is the InChIKey of 2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide?
The InChIKey is LCCPHWDXEFPQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-8-5-7(12)1-2-9(8)14-3-4-16-6-10(13)15/h1-2,5,14H,3-4,6,12H2,(H2,13,15).
What are the key properties of 2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide?
2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide has a molecular weight of 243.69 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide is sourced from PubChem (CID 106234293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).