N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide

C18H20ClN3O2 — CID 109021579

IUPACN-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNCc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13(23)21-15-6-8-16(9-7-15)22-18(24)10-11-20-12-14-4-2-3-5-17(14)19/h2-9,20H,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyACILLLNXXHVTMM-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.42
Rot. Bonds7

About N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide

N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide (PubChem CID 109021579) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
PubChem CID109021579
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNCc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13(23)21-15-6-8-16(9-7-15)22-18(24)10-11-20-12-14-4-2-3-5-17(14)19/h2-9,20H,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyACILLLNXXHVTMM-UHFFFAOYSA-N
XLogP3.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
CID 109021533
3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 109021615
3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide
CID 109021543
3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109021574
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide
CID 60544636
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019338
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896
N-(4-acetamidophenyl)-3-(propylamino)propanamide
CID 109011595
3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide
CID 109020077
3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109021544

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide (CID 109021579) is N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide is CC(=O)Nc1ccc(NC(=O)CCNCc2ccccc2Cl)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide?
The InChIKey is ACILLLNXXHVTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13(23)21-15-6-8-16(9-7-15)22-18(24)10-11-20-12-14-4-2-3-5-17(14)19/h2-9,20H,10-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide?
N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide has a molecular weight of 345.83 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide is sourced from PubChem (CID 109021579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).