3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride

C18H21Cl3N2O — CID 120610292

IUPAC3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
SMILESCC(CNC(=O)CCc1ccccc1N)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C18H20Cl2N2O.ClH/c1-12(18-14(19)6-4-7-15(18)20)11-22-17(23)10-9-13-5-2-3-8-16(13)21;/h2-8,12H,9-11,21H2,1H3,(H,22,23);1H
InChIKeySWMYIZPTUXLZPZ-UHFFFAOYSA-N
MW387.74 g/mol
LogP4.85
Rot. Bonds6

About 3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride (PubChem CID 120610292) has the molecular formula C18H21Cl3N2O and a molecular weight of 387.74 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
PubChem CID120610292
Molecular FormulaC18H21Cl3N2O
Molecular Weight387.74 g/mol
Exact Mass386.07
IUPAC Name3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
SMILESCC(CNC(=O)CCc1ccccc1N)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C18H20Cl2N2O.ClH/c1-12(18-14(19)6-4-7-15(18)20)11-22-17(23)10-9-13-5-2-3-8-16(13)21;/h2-8,12H,9-11,21H2,1H3,(H,22,23);1H
InChIKeySWMYIZPTUXLZPZ-UHFFFAOYSA-N
XLogP4.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.74
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide
CID 120610293
4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide
CID 120562053
2-amino-N-[2-(2,6-dichlorophenyl)propyl]acetamide
CID 119315000
3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride
CID 120610920
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000
3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28714106
3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride
CID 120611894
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 119315009
3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide
CID 120611754
(2S)-3-[3-(2-aminophenyl)propanoylamino]-2-hydroxypropanoic acid
CID 107835782
N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride
CID 119768749
3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide
CID 120610426

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride (CID 120610292) is 3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride is CC(CNC(=O)CCc1ccccc1N)c1c(Cl)cccc1Cl.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride?
The InChIKey is SWMYIZPTUXLZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O.ClH/c1-12(18-14(19)6-4-7-15(18)20)11-22-17(23)10-9-13-5-2-3-8-16(13)21;/h2-8,12H,9-11,21H2,1H3,(H,22,23);1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride has a molecular weight of 387.74 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120610292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).