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

C12H18BrClN2O — CID 75419116

IUPAC2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
SMILESCCNCCNC(=O)Cc1cccc(Br)c1.Cl
InChIInChI=1S/C12H17BrN2O.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
InChIKeyMHASUDJVFBRSNO-UHFFFAOYSA-N
MW321.65 g/mol
LogP2.14
Rot. Bonds6

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

2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride (PubChem CID 75419116) has the molecular formula C12H18BrClN2O and a molecular weight of 321.65 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
PubChem CID75419116
Molecular FormulaC12H18BrClN2O
Molecular Weight321.65 g/mol
Exact Mass320.03
IUPAC Name2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
SMILESCCNCCNC(=O)Cc1cccc(Br)c1.Cl
InChIInChI=1S/C12H17BrN2O.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
InChIKeyMHASUDJVFBRSNO-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 52.14
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-bromophenyl)-N-propylacetamide
CID 4084138
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119509114
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119507081
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
N-[2-(ethylamino)ethyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119504641
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773
N-(4-bromobutyl)-2-(3-bromophenyl)acetamide
CID 106845789
2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide
CID 119507812
2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119506812
N-[2-(ethylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119508424

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride (CID 75419116) is 2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride is CCNCCNC(=O)Cc1cccc(Br)c1.Cl.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The InChIKey is MHASUDJVFBRSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O.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-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride has a molecular weight of 321.65 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 75419116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).