2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide

C13H18Cl2N2O — CID 55146750

IUPAC2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide
SMILESCCNCCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-2-16-6-3-7-17-13(18)9-10-4-5-11(14)12(15)8-10/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeySSOISOKJVSPGBT-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.65
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide

2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide (PubChem CID 55146750) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide
PubChem CID55146750
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide
SMILESCCNCCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-2-16-6-3-7-17-13(18)9-10-4-5-11(14)12(15)8-10/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeySSOISOKJVSPGBT-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.65
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-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047188
N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
CID 119407523
N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide
CID 43601526
N'-[(3,4-dichlorophenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215667
N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047177
2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
CID 103709115
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675
2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide
CID 142460671
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119509114
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide (CID 55146750) is 2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide is CCNCCCNC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide?
The InChIKey is SSOISOKJVSPGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-2-16-6-3-7-17-13(18)9-10-4-5-11(14)12(15)8-10/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide?
2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide has a molecular weight of 289.21 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide is sourced from PubChem (CID 55146750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).