3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide

C12H16Cl2N2O2 — CID 109015134

IUPAC3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-18-8-7-15-11(17)5-6-16-12-9(13)3-2-4-10(12)14/h2-4,16H,5-8H2,1H3,(H,15,17)
InChIKeyBHFRPFIPJUHERY-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.56
Rot. Bonds7

About 3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide

3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 109015134) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
PubChem CID109015134
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-18-8-7-15-11(17)5-6-16-12-9(13)3-2-4-10(12)14/h2-4,16H,5-8H2,1H3,(H,15,17)
InChIKeyBHFRPFIPJUHERY-UHFFFAOYSA-N
XLogP2.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide 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

3-(2,6-diethylanilino)-N-(2-methoxyethyl)propanamide
CID 109015061
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 109015481
N-(2-methoxyethyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109015060
N-(2-methoxyethyl)-3-(3-methylanilino)propanamide
CID 109015044
3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 109015076
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide
CID 108943408
N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102751815
3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041350
N-(2-methoxyethyl)-3-(pyridin-2-ylamino)propanamide
CID 47371043

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide (CID 109015134) is 3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is BHFRPFIPJUHERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-18-8-7-15-11(17)5-6-16-12-9(13)3-2-4-10(12)14/h2-4,16H,5-8H2,1H3,(H,15,17).
What are the key properties of 3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide?
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 291.18 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 109015134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).