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

C13H18BrClN2O — CID 86813788

IUPAC2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1Br)NCCNC1CC1
InChIInChI=1S/C13H17BrN2O.ClH/c14-12-4-2-1-3-10(12)9-13(17)16-8-7-15-11-5-6-11;/h1-4,11,15H,5-9H2,(H,16,17);1H
InChIKeyXMJGVHZSLJXHKM-UHFFFAOYSA-N
MW333.66 g/mol
LogP2.28
Rot. Bonds6

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

2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride (PubChem CID 86813788) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride
PubChem CID86813788
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1Br)NCCNC1CC1
InChIInChI=1S/C13H17BrN2O.ClH/c14-12-4-2-1-3-10(12)9-13(17)16-8-7-15-11-5-6-11;/h1-4,11,15H,5-9H2,(H,16,17);1H
InChIKeyXMJGVHZSLJXHKM-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 52.28
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

3-[[2-(2-bromophenyl)acetyl]amino]propanoic acid
CID 115729925
2-(2-bromophenyl)-N-(2-phenylethyl)acetamide
CID 86025438
4-[(2-bromophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810049
N-[3-(2-bromophenyl)propyl]cyclopropanamine
CID 62528627
N-[3-(cyclopropylamino)propyl]-2-phenylacetamide
CID 43596486
N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)acetamide
CID 55100633
2-(2-bromophenyl)-N-pentylacetamide
CID 113098374
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119619460
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052971
N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119620405

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride (CID 86813788) is 2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride is Cl.O=C(Cc1ccccc1Br)NCCNC1CC1.
What is the InChIKey of 2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride?
The InChIKey is XMJGVHZSLJXHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O.ClH/c14-12-4-2-1-3-10(12)9-13(17)16-8-7-15-11-5-6-11;/h1-4,11,15H,5-9H2,(H,16,17);1H.
What are the key properties of 2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride?
2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride has a molecular weight of 333.66 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 86813788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).