N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride

C15H22BrClN2O — CID 119314229

IUPACN-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CCCN1)c1cccc(Br)c1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-15(2,11-5-3-6-12(16)9-11)10-18-14(19)13-7-4-8-17-13;/h3,5-6,9,13,17H,4,7-8,10H2,1-2H3,(H,18,19);1H
InChIKeyWIMRMYQDMTTZSS-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.02
Rot. Bonds4

About N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride

N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119314229) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119314229
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC NameN-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CCCN1)c1cccc(Br)c1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-15(2,11-5-3-6-12(16)9-11)10-18-14(19)13-7-4-8-17-13;/h3,5-6,9,13,17H,4,7-8,10H2,1-2H3,(H,18,19);1H
InChIKeyWIMRMYQDMTTZSS-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 115159331
N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 110461441
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
CID 119316485
(2R)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119724295
(2S)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 93398876
N-[2-methyl-2-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 119318660
N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide
CID 119297349
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103
methyl 2-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142674
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119325005
(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119285496

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119314229) is N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)(CNC(=O)C1CCCN1)c1cccc(Br)c1.Cl.
What is the InChIKey of N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WIMRMYQDMTTZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c1-15(2,11-5-3-6-12(16)9-11)10-18-14(19)13-7-4-8-17-13;/h3,5-6,9,13,17H,4,7-8,10H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119314229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).