2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide

C12H16Cl2N2O — CID 119509040

IUPAC2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide
SMILESCCNCCNC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-2-15-6-7-16-12(17)8-9-10(13)4-3-5-11(9)14/h3-5,15H,2,6-8H2,1H3,(H,16,17)
InChIKeyWPPVSLAEYZZRNH-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.26
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide

2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide (PubChem CID 119509040) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide
PubChem CID119509040
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide
SMILESCCNCCNC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-2-15-6-7-16-12(17)8-9-10(13)4-3-5-11(9)14/h3-5,15H,2,6-8H2,1H3,(H,16,17)
InChIKeyWPPVSLAEYZZRNH-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.26
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-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119509114
2-(2,6-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653936
N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 28651326
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)acetamide
CID 62658588
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N-(2-chloroprop-2-enyl)-2-(2,6-dichlorophenyl)acetamide
CID 115636770
4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide
CID 119508138
2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide
CID 4255523
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
2-(2,6-dichlorophenyl)-N-(2,6-diethylphenyl)acetamide
CID 7700454

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide (CID 119509040) is 2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide is CCNCCNC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide?
The InChIKey is WPPVSLAEYZZRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-2-15-6-7-16-12(17)8-9-10(13)4-3-5-11(9)14/h3-5,15H,2,6-8H2,1H3,(H,16,17).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide?
2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide has a molecular weight of 275.18 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide is sourced from PubChem (CID 119509040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).