N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide

C15H21BrN2O — CID 115159331

IUPACN-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CCCN1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-15(2,11-5-7-12(16)8-6-11)10-18-14(19)13-4-3-9-17-13/h5-8,13,17H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyZQJPWPBUMZVVRT-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.59
Rot. Bonds4

About N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide

N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide (PubChem CID 115159331) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
PubChem CID115159331
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CCCN1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-15(2,11-5-7-12(16)8-6-11)10-18-14(19)13-4-3-9-17-13/h5-8,13,17H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyZQJPWPBUMZVVRT-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314229
N-[2-methyl-2-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 119318660
N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide
CID 119297349
(2S)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 93398876
(2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 170437173
(2R)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119724295
N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119733957
N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 110461441
N-[2-[(4-bromobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 119299525
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
CID 119316485
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 51948734

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide (CID 115159331) is N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide is CC(C)(CNC(=O)C1CCCN1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
The InChIKey is ZQJPWPBUMZVVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-15(2,11-5-7-12(16)8-6-11)10-18-14(19)13-4-3-9-17-13/h5-8,13,17H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 2.59, 4 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]pyrrolidine-2-carboxamide is sourced from PubChem (CID 115159331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).