2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide

C13H20ClN3O — CID 54986290

IUPAC2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1c(N)cccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-4-17(8-12(18)16-9(2)3)13-10(14)6-5-7-11(13)15/h5-7,9H,4,8,15H2,1-3H3,(H,16,18)
InChIKeyQKCOWQKXSNBVAY-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.27
Rot. Bonds5

About 2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide

2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide (PubChem CID 54986290) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide
PubChem CID54986290
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1c(N)cccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-4-17(8-12(18)16-9(2)3)13-10(14)6-5-7-11(13)15/h5-7,9H,4,8,15H2,1-3H3,(H,16,18)
InChIKeyQKCOWQKXSNBVAY-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,6-diamino-3-chloro-N-ethyl-2-fluoroanilino)-N-propan-2-ylacetamide
CID 103552879
2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986481
2-amino-3-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 115540404
2-amino-3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 115545429
2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
CID 103517906
2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine
CID 28983511
2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 64589162
2-[(3-amino-6-methoxy-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
CID 115320588
N-(2-amino-6-chlorophenyl)-N',N'-diethylacetohydrazide
CID 154210344
2-(4-carbamothioyl-2-chloro-N-ethylanilino)-N-propan-2-ylacetamide
CID 63087465
2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
CID 104528602
2-[2-chloro-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-propan-2-ylacetamide
CID 63371225

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide (CID 54986290) is 2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide?
The InChIKey is QKCOWQKXSNBVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-17(8-12(18)16-9(2)3)13-10(14)6-5-7-11(13)15/h5-7,9H,4,8,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide?
2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide has a molecular weight of 269.78 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 54986290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).