2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride

C12H18Cl2N2O — CID 119509114

IUPAC2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
SMILESCCNCCNC(=O)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-2-14-6-7-15-12(16)9-10-4-3-5-11(13)8-10;/h3-5,8,14H,2,6-7,9H2,1H3,(H,15,16);1H
InChIKeyJKKIRYHNVANTOK-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.03
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride

2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride (PubChem CID 119509114) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
PubChem CID119509114
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
SMILESCCNCCNC(=O)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-2-14-6-7-15-12(16)9-10-4-3-5-11(13)8-10;/h3-5,8,14H,2,6-7,9H2,1H3,(H,15,16);1H
InChIKeyJKKIRYHNVANTOK-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.03
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-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide
CID 119505661
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
1-(3-chlorophenyl)-4-(ethylamino)butan-2-one
CID 116565791
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119506352
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119507081
2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide
CID 119509040
N-[2-(ethylamino)ethyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119504641
N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108932591
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773
2-(3-chlorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658434

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride (CID 119509114) is 2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride is CCNCCNC(=O)Cc1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The InChIKey is JKKIRYHNVANTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-2-14-6-7-15-12(16)9-10-4-3-5-11(13)8-10;/h3-5,8,14H,2,6-7,9H2,1H3,(H,15,16);1H.
What are the key properties of 2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119509114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).