N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide

C13H19ClN2O — CID 60648459

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-3-8-15-9-13(17)16-10(2)11-4-6-12(14)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyGZUADCAHULVBDQ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.52
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide

N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide (PubChem CID 60648459) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide
PubChem CID60648459
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-3-8-15-9-13(17)16-10(2)11-4-6-12(14)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyGZUADCAHULVBDQ-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide 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

N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-propoxyacetamide
CID 107941741
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
CID 81354657
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide
CID 81353743
N-[1-(4-chlorophenyl)ethyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 78811979
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 9335310
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81365152
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
CID 60648461

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide (CID 60648459) is N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide is CCCNCC(=O)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide?
The InChIKey is GZUADCAHULVBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-8-15-9-13(17)16-10(2)11-4-6-12(14)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide?
N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide has a molecular weight of 254.76 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide is sourced from PubChem (CID 60648459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).