N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide

C12H15BrFN3 — CID 75493910

IUPACN'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide
SMILESN/C(=N\Cc1cc(Br)ccc1F)N1CCCC1
InChIInChI=1S/C12H15BrFN3/c13-10-3-4-11(14)9(7-10)8-16-12(15)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H2,15,16)
InChIKeyJDPODMDPVCNDBS-UHFFFAOYSA-N
MW300.17 g/mol
LogP2.50
Rot. Bonds2

About N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide

N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide (PubChem CID 75493910) has the molecular formula C12H15BrFN3 and a molecular weight of 300.17 g/mol. Its IUPAC name is N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide
PubChem CID75493910
Molecular FormulaC12H15BrFN3
Molecular Weight300.17 g/mol
Exact Mass299.04
IUPAC NameN'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide
SMILESN/C(=N\Cc1cc(Br)ccc1F)N1CCCC1
InChIInChI=1S/C12H15BrFN3/c13-10-3-4-11(14)9(7-10)8-16-12(15)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H2,15,16)
InChIKeyJDPODMDPVCNDBS-UHFFFAOYSA-N
XLogP2.50
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110919760
N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide
CID 122095446
N'-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111095453
N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide
CID 122097017
1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine
CID 64866451
N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
CID 111800968
N'-[(2,5-difluorophenyl)methyl]thiomorpholine-4-carboximidamide
CID 111801004
N'-[(3-chloro-4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 111045730
2-[(5-bromo-2-fluorophenyl)methyl]-1-tert-butylguanidine
CID 55064147
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956838
N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide
CID 111068778
N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111076048

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide (CID 75493910) is N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide is N/C(=N\Cc1cc(Br)ccc1F)N1CCCC1.
What is the InChIKey of N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is JDPODMDPVCNDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3/c13-10-3-4-11(14)9(7-10)8-16-12(15)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H2,15,16).
What are the key properties of N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide?
N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 300.17 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 75493910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).