N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C15H22BrClN2O2 — CID 119804609

IUPACN-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(CNC(=O)CC1CCCN1)Oc1cccc(Br)c1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-11(20-14-6-2-4-12(16)8-14)10-18-15(19)9-13-5-3-7-17-13;/h2,4,6,8,11,13,17H,3,5,7,9-10H2,1H3,(H,18,19);1H
InChIKeyKWEJBVZOPVPPOB-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.90
Rot. Bonds6

About N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119804609) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119804609
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC NameN-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(CNC(=O)CC1CCCN1)Oc1cccc(Br)c1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-11(20-14-6-2-4-12(16)8-14)10-18-15(19)9-13-5-3-7-17-13;/h2,4,6,8,11,13,17H,3,5,7,9-10H2,1H3,(H,18,19);1H
InChIKeyKWEJBVZOPVPPOB-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804610
N-[2-(3-chlorophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807141
N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
N-[2-(2-methoxyphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804831
N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide
CID 119819909
3-amino-N-[2-(3-bromophenoxy)propyl]butanamide
CID 119804606
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119831071
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744834
N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119336985
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521
N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide
CID 71993929

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119804609) is N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CC(CNC(=O)CC1CCCN1)Oc1cccc(Br)c1.Cl.
What is the InChIKey of N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is KWEJBVZOPVPPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-11(20-14-6-2-4-12(16)8-14)10-18-15(19)9-13-5-3-7-17-13;/h2,4,6,8,11,13,17H,3,5,7,9-10H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119804609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).