2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide

C15H23ClN2O — CID 109002824

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
SMILESCCCCCNC(=O)CNCCc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-2-3-4-10-18-15(19)12-17-11-9-13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyNHWZXRPWFAUFPG-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.78
Rot. Bonds9

About 2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide

2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide (PubChem CID 109002824) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
PubChem CID109002824
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
SMILESCCCCCNC(=O)CNCCc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-2-3-4-10-18-15(19)12-17-11-9-13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyNHWZXRPWFAUFPG-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002541
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 109002927
N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 60672273
N-pentyl-2-(pentylamino)acetamide
CID 109005932
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 71627764
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide (CID 109002824) is 2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide is CCCCCNC(=O)CNCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide?
The InChIKey is NHWZXRPWFAUFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-3-4-10-18-15(19)12-17-11-9-13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12H2,1H3,(H,18,19).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide?
2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide has a molecular weight of 282.81 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide is sourced from PubChem (CID 109002824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).