4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride

C15H22BrClN2O2 — CID 119552447

IUPAC4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCN(C(=O)CCCOc1cccc(Br)c1)C1CCNC1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-18(13-7-8-17-11-13)15(19)6-3-9-20-14-5-2-4-12(16)10-14;/h2,4-5,10,13,17H,3,6-9,11H2,1H3;1H
InChIKeyLUNKVSPFOGGYOV-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.85
Rot. Bonds6

About 4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride

4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 119552447) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID119552447
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCN(C(=O)CCCOc1cccc(Br)c1)C1CCNC1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-18(13-7-8-17-11-13)15(19)6-3-9-20-14-5-2-4-12(16)10-14;/h2,4-5,10,13,17H,3,6-9,11H2,1H3;1H
InChIKeyLUNKVSPFOGGYOV-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553657
4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553580
4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide
CID 119824771
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119443722
4-(4-chloro-3-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551230
4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119554526
4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120554975
4-(4-chloro-3-methylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119442076
2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
CID 61488607
2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550503
4-(4-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551624

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 119552447) is 4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride is CN(C(=O)CCCOc1cccc(Br)c1)C1CCNC1.Cl.
What is the InChIKey of 4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is LUNKVSPFOGGYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-18(13-7-8-17-11-13)15(19)6-3-9-20-14-5-2-4-12(16)10-14;/h2,4-5,10,13,17H,3,6-9,11H2,1H3;1H.
What are the key properties of 4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119552447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).