4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride

C19H23ClN4O2 — CID 160702063

IUPAC4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride
SMILESCc1ccccc1Oc1ccc(C(=O)NC(N)=NN2CCCC2)cc1.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-14-6-2-3-7-17(14)25-16-10-8-15(9-11-16)18(24)21-19(20)22-23-12-4-5-13-23;/h2-3,6-11H,4-5,12-13H2,1H3,(H3,20,21,22,24);1H
InChIKeyRQTBIHZBNJUZFB-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.26
Rot. Bonds4

About 4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride

4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride (PubChem CID 160702063) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride
PubChem CID160702063
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride
SMILESCc1ccccc1Oc1ccc(C(=O)NC(N)=NN2CCCC2)cc1.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-14-6-2-3-7-17(14)25-16-10-8-15(9-11-16)18(24)21-19(20)22-23-12-4-5-13-23;/h2-3,6-11H,4-5,12-13H2,1H3,(H3,20,21,22,24);1H
InChIKeyRQTBIHZBNJUZFB-UHFFFAOYSA-N
XLogP3.26
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride?
The IUPAC name of 4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride (CID 160702063) is 4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride?
The canonical SMILES for 4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride is Cc1ccccc1Oc1ccc(C(=O)NC(N)=NN2CCCC2)cc1.Cl.
What is the InChIKey of 4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride?
The InChIKey is RQTBIHZBNJUZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.ClH/c1-14-6-2-3-7-17(14)25-16-10-8-15(9-11-16)18(24)21-19(20)22-23-12-4-5-13-23;/h2-3,6-11H,4-5,12-13H2,1H3,(H3,20,21,22,24);1H.
What are the key properties of 4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride?
4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide;hydrochloride is sourced from PubChem (CID 160702063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).