N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C16H24BrClN2O — CID 119733957

IUPACN-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)(CNC(=O)CC1CCCN1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-16(2,12-5-7-13(17)8-6-12)11-19-15(20)10-14-4-3-9-18-14;/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,19,20);1H
InChIKeyYEVCSMJUPMAPCI-UHFFFAOYSA-N
MW375.74 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119733957) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119733957
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC NameN-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)(CNC(=O)CC1CCCN1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-16(2,12-5-7-13(17)8-6-12)11-19-15(20)10-14-4-3-9-18-14;/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,19,20);1H
InChIKeyYEVCSMJUPMAPCI-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-2-(4-methylphenyl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119775261
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-2-pyrrolidin-2-ylacetamide
CID 119778688
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760103
N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 115159331
N-[2-methyl-2-(3-methylphenyl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757018
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119772728
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-[2-(4-bromophenyl)-2-methylpropyl]-2-cyclopentylsulfonylacetamide
CID 78889350
N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119780998
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828479
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938117
N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314229

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119733957) is N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CC(C)(CNC(=O)CC1CCCN1)c1ccc(Br)cc1.Cl.
What is the InChIKey of N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is YEVCSMJUPMAPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O.ClH/c1-16(2,12-5-7-13(17)8-6-12)11-19-15(20)10-14-4-3-9-18-14;/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119733957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).