N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C16H22BrClN2O — CID 119301103

IUPACN-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2cccc(Br)c2)CCC1)C1CCCN1
InChIInChI=1S/C16H21BrN2O.ClH/c17-13-5-1-4-12(10-13)16(7-3-8-16)11-19-15(20)14-6-2-9-18-14;/h1,4-5,10,14,18H,2-3,6-9,11H2,(H,19,20);1H
InChIKeyVZTGCAMGZBUCIB-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.16
Rot. Bonds4

About N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119301103) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119301103
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2cccc(Br)c2)CCC1)C1CCCN1
InChIInChI=1S/C16H21BrN2O.ClH/c17-13-5-1-4-12(10-13)16(7-3-8-16)11-19-15(20)14-6-2-9-18-14;/h1,4-5,10,14,18H,2-3,6-9,11H2,(H,19,20);1H
InChIKeyVZTGCAMGZBUCIB-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744834
N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide
CID 119301112
N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119786264
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314901
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119738787
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
(2R,3S)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120927212
N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119333019
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119310485
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 119303685
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119738816

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119301103) is N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCC1(c2cccc(Br)c2)CCC1)C1CCCN1.
What is the InChIKey of N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is VZTGCAMGZBUCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O.ClH/c17-13-5-1-4-12(10-13)16(7-3-8-16)11-19-15(20)14-6-2-9-18-14;/h1,4-5,10,14,18H,2-3,6-9,11H2,(H,19,20);1H.
What are the key properties of N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 373.72 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119301103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).