3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride

C15H22BrClN2O2 — CID 119804683

IUPAC3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCC(N)C1)Oc1ccccc1Br.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-10(20-14-5-3-2-4-13(14)16)9-18-15(19)11-6-7-12(17)8-11;/h2-5,10-12H,6-9,17H2,1H3,(H,18,19);1H
InChIKeySFELXZNGIGSTND-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.88
Rot. Bonds5

About 3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119804683) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119804683
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCC(N)C1)Oc1ccccc1Br.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-10(20-14-5-3-2-4-13(14)16)9-18-15(19)11-6-7-12(17)8-11;/h2-5,10-12H,6-9,17H2,1H3,(H,18,19);1H
InChIKeySFELXZNGIGSTND-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-chlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119725465
N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide
CID 119804722
3-amino-N-[2-(3-fluorophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804739
3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride
CID 119819930
3-amino-N-[3-(2-bromophenoxy)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 119809990
3-amino-N-(2-methoxypropyl)cyclopentane-1-carboxamide
CID 102695070
trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 124778177
3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride
CID 119804713
3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119830666
2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795023
9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991075
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride (CID 119804683) is 3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride is CC(CNC(=O)C1CCC(N)C1)Oc1ccccc1Br.Cl.
What is the InChIKey of 3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is SFELXZNGIGSTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-10(20-14-5-3-2-4-13(14)16)9-18-15(19)11-6-7-12(17)8-11;/h2-5,10-12H,6-9,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119804683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).