N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide

C18H20ClN3 — CID 70533461

IUPACN-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide
SMILESCN(/C(=N/c1ccccc1)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3/c1-21(17-11-9-15(19)10-12-17)18(22-13-5-6-14-22)20-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14H2,1H3/b20-18-
InChIKeyOEOPMNCZJJVEBW-ZZEZOPTASA-N
MW313.83 g/mol
LogP4.56
Rot. Bonds2

About N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide

N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide (PubChem CID 70533461) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide
PubChem CID70533461
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC NameN-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide
SMILESCN(/C(=N/c1ccccc1)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3/c1-21(17-11-9-15(19)10-12-17)18(22-13-5-6-14-22)20-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14H2,1H3/b20-18-
InChIKeyOEOPMNCZJJVEBW-ZZEZOPTASA-N
XLogP4.56
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.56
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide (CID 70533461) is N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide is CN(/C(=N/c1ccccc1)N1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide?
The InChIKey is OEOPMNCZJJVEBW-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H20ClN3/c1-21(17-11-9-15(19)10-12-17)18(22-13-5-6-14-22)20-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14H2,1H3/b20-18-.
What are the key properties of N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide?
N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide has a molecular weight of 313.83 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 70533461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).