3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide

C20H25ClN2O — CID 109021543

IUPAC3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCNCc1ccccc1Cl
InChIInChI=1S/C20H25ClN2O/c1-3-15-9-7-10-16(4-2)20(15)23-19(24)12-13-22-14-17-8-5-6-11-18(17)21/h5-11,22H,3-4,12-14H2,1-2H3,(H,23,24)
InChIKeyMINIADLUCWDAQN-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.58
Rot. Bonds8

About 3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide

3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide (PubChem CID 109021543) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide
PubChem CID109021543
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCNCc1ccccc1Cl
InChIInChI=1S/C20H25ClN2O/c1-3-15-9-7-10-16(4-2)20(15)23-19(24)12-13-22-14-17-8-5-6-11-18(17)21/h5-11,22H,3-4,12-14H2,1-2H3,(H,23,24)
InChIKeyMINIADLUCWDAQN-UHFFFAOYSA-N
XLogP4.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)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-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 109021615
N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
CID 109021579
3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109021544
N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023379
3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
CID 109021533
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
2-(2,6-dichlorophenyl)-N-(2,6-diethylphenyl)acetamide
CID 7700454
3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036591
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide
CID 109019985
3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109021574

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide (CID 109021543) is 3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)CCNCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide?
The InChIKey is MINIADLUCWDAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-3-15-9-7-10-16(4-2)20(15)23-19(24)12-13-22-14-17-8-5-6-11-18(17)21/h5-11,22H,3-4,12-14H2,1-2H3,(H,23,24).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide?
3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide has a molecular weight of 344.89 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 109021543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).