N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide

C14H20Cl2N2O — CID 60672273

IUPACN-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
SMILESCCCCNC(=O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-2-3-7-18-14(19)10-17-8-6-11-4-5-12(15)9-13(11)16/h4-5,9,17H,2-3,6-8,10H2,1H3,(H,18,19)
InChIKeyLUVRAJHHJZLXOU-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.04
Rot. Bonds8

About N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide

N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide (PubChem CID 60672273) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
PubChem CID60672273
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC NameN-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
SMILESCCCCNC(=O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-2-3-7-18-14(19)10-17-8-6-11-4-5-12(15)9-13(11)16/h4-5,9,17H,2-3,6-8,10H2,1H3,(H,18,19)
InChIKeyLUVRAJHHJZLXOU-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.04
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

2-[2-(2,4-dichlorophenyl)ethylamino]-N-ethylacetamide
CID 28578887
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000291
N-[2-(3-chlorophenyl)ethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 109006805
N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000163
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005315
2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
CID 109002824
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
CID 28578934
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 108993859
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide
CID 109006897
2-(butylamino)-N-(2,4-dichlorophenyl)acetamide
CID 54815344

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide?
The IUPAC name of N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide (CID 60672273) is N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide?
The canonical SMILES for N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide is CCCCNC(=O)CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide?
The InChIKey is LUVRAJHHJZLXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-2-3-7-18-14(19)10-17-8-6-11-4-5-12(15)9-13(11)16/h4-5,9,17H,2-3,6-8,10H2,1H3,(H,18,19).
What are the key properties of N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide?
N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide has a molecular weight of 303.23 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide is sourced from PubChem (CID 60672273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).