4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride

C19H23ClN4O — CID 67597658

IUPAC4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride
SMILESCl.N/C(=N\c1ccc(C(=O)NCc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C19H22N4O.ClH/c20-19(23-12-4-5-13-23)22-17-10-8-16(9-11-17)18(24)21-14-15-6-2-1-3-7-15;/h1-3,6-11H,4-5,12-14H2,(H2,20,22)(H,21,24);1H
InChIKeyPAUXELHSHAIZDD-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.08
Rot. Bonds4

About 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride

4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride (PubChem CID 67597658) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride
PubChem CID67597658
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride
SMILESCl.N/C(=N\c1ccc(C(=O)NCc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C19H22N4O.ClH/c20-19(23-12-4-5-13-23)22-17-10-8-16(9-11-17)18(24)21-14-15-6-2-1-3-7-15;/h1-3,6-11H,4-5,12-14H2,(H2,20,22)(H,21,24);1H
InChIKeyPAUXELHSHAIZDD-UHFFFAOYSA-N
XLogP3.08
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide
CID 67613976
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide
CID 118304057
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-benzylazonane-1-carboxamide
CID 130689649
4-(benzamidomethyl)benzoic acid
CID 10879683
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080517
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237

Frequently Asked Questions

What is the IUPAC name of 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride?
The IUPAC name of 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride (CID 67597658) is 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride?
The canonical SMILES for 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride is Cl.N/C(=N\c1ccc(C(=O)NCc2ccccc2)cc1)N1CCCC1.
What is the InChIKey of 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride?
The InChIKey is PAUXELHSHAIZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.ClH/c20-19(23-12-4-5-13-23)22-17-10-8-16(9-11-17)18(24)21-14-15-6-2-1-3-7-15;/h1-3,6-11H,4-5,12-14H2,(H2,20,22)(H,21,24);1H.
What are the key properties of 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride?
4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride is sourced from PubChem (CID 67597658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).