N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide

C16H23BrN2O — CID 119772728

IUPACN-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)(Cc1ccc(Br)cc1)NC(=O)CC1CCCN1
InChIInChI=1S/C16H23BrN2O/c1-16(2,11-12-5-7-13(17)8-6-12)19-15(20)10-14-4-3-9-18-14/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyRWJJICORVUXDMQ-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.03
Rot. Bonds5

About N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide

N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119772728) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
PubChem CID119772728
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)(Cc1ccc(Br)cc1)NC(=O)CC1CCCN1
InChIInChI=1S/C16H23BrN2O/c1-16(2,11-12-5-7-13(17)8-6-12)19-15(20)10-14-4-3-9-18-14/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyRWJJICORVUXDMQ-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide
CID 119317256
N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119733957
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119317255
N-(2-methylpentan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 115738895
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-(3-methylpentan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 103811397
N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119780998
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 175839939
N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide
CID 114209112

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide (CID 119772728) is N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide is CC(C)(Cc1ccc(Br)cc1)NC(=O)CC1CCCN1.
What is the InChIKey of N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is RWJJICORVUXDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-16(2,11-12-5-7-13(17)8-6-12)19-15(20)10-14-4-3-9-18-14/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide?
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 339.28 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119772728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).