2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride

C11H16BrClN2O — CID 119502206

IUPAC2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
SMILESCNCCNC(=O)Cc1ccc(Br)cc1.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-13-6-7-14-11(15)8-9-2-4-10(12)5-3-9;/h2-5,13H,6-8H2,1H3,(H,14,15);1H
InChIKeyMOONDENLPPKKFT-UHFFFAOYSA-N
MW307.62 g/mol
LogP1.75
Rot. Bonds5

About 2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride

2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride (PubChem CID 119502206) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
PubChem CID119502206
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
SMILESCNCCNC(=O)Cc1ccc(Br)cc1.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-13-6-7-14-11(15)8-9-2-4-10(12)5-3-9;/h2-5,13H,6-8H2,1H3,(H,14,15);1H
InChIKeyMOONDENLPPKKFT-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 51.75
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

4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
CID 119503431
N-(4-bromobutyl)-2-(4-bromophenyl)acetamide
CID 106845842
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990658
2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 66816834
tert-butyl N-[3-[2-[[2-(4-bromophenyl)acetyl]amino]ethylamino]-3-oxopropyl]carbamate
CID 108919137
2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 112995172
2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119432439
2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
CID 113101041
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid
CID 24702414

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride (CID 119502206) is 2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride is CNCCNC(=O)Cc1ccc(Br)cc1.Cl.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
The InChIKey is MOONDENLPPKKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O.ClH/c1-13-6-7-14-11(15)8-9-2-4-10(12)5-3-9;/h2-5,13H,6-8H2,1H3,(H,14,15);1H.
What are the key properties of 2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride has a molecular weight of 307.62 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119502206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).