3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide

C14H20Cl2N2O — CID 54935527

IUPAC3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-18(4-2)14(19)8-9-17-10-11-12(15)6-5-7-13(11)16/h5-7,17H,3-4,8-10H2,1-2H3
InChIKeyLVRIKPXXQUFZNQ-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.34
Rot. Bonds7

About 3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide

3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide (PubChem CID 54935527) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide
PubChem CID54935527
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-18(4-2)14(19)8-9-17-10-11-12(15)6-5-7-13(11)16/h5-7,17H,3-4,8-10H2,1-2H3
InChIKeyLVRIKPXXQUFZNQ-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide 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-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide
CID 112554135
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589
3-[(2,3-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54944678
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide
CID 115584824
3-[(2-chloro-6-hydroxyphenyl)methylamino]-N-ethylpropanamide
CID 113409648
3-[(3,4-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54935720
3-[(3-cyanophenyl)methylamino]-N,N-diethylpropanamide
CID 54934968
3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925933
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 60960943
methyl 2-[[[3-(diethylamino)-3-oxopropyl]amino]methyl]benzoate
CID 60925943
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide (CID 54935527) is 3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNCc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide?
The InChIKey is LVRIKPXXQUFZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-3-18(4-2)14(19)8-9-17-10-11-12(15)6-5-7-13(11)16/h5-7,17H,3-4,8-10H2,1-2H3.
What are the key properties of 3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide?
3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide has a molecular weight of 303.23 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 54935527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).