N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide

C18H20ClN3 — CID 101489117

IUPACN'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide
SMILESClc1ccccc1N/C(=N/Cc1ccccc1)N1CCCC1
InChIInChI=1S/C18H20ClN3/c19-16-10-4-5-11-17(16)21-18(22-12-6-7-13-22)20-14-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,20,21)
InChIKeyQDPBIIXPHXRTLU-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.40
Rot. Bonds3

About N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide

N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide (PubChem CID 101489117) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide
PubChem CID101489117
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC NameN'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide
SMILESClc1ccccc1N/C(=N/Cc1ccccc1)N1CCCC1
InChIInChI=1S/C18H20ClN3/c19-16-10-4-5-11-17(16)21-18(22-12-6-7-13-22)20-14-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,20,21)
InChIKeyQDPBIIXPHXRTLU-UHFFFAOYSA-N
XLogP4.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.40
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'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine
CID 102375712
3-[[N-benzyl-C-[4-(2-chlorophenyl)piperazin-1-yl]carbonimidoyl]amino]benzoic acid
CID 50801008
N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
CID 111046434
N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955946
2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide
CID 44892193
N-phenyl-N'-[(3,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111033624
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-3-oxopropanamide
CID 108949335
4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
CID 110962963
N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide
CID 71515196
N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
CID 111052747
3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide
CID 111071160

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide (CID 101489117) is N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide is Clc1ccccc1N/C(=N/Cc1ccccc1)N1CCCC1.
What is the InChIKey of N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide?
The InChIKey is QDPBIIXPHXRTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3/c19-16-10-4-5-11-17(16)21-18(22-12-6-7-13-22)20-14-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,20,21).
What are the key properties of N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide?
N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide has a molecular weight of 313.83 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 101489117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).