3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride

C13H21Cl2N3O — CID 119834336

IUPAC3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)NCCN2CCCC2)c1
InChIInChI=1S/C13H19N3O.2ClH/c14-12-5-3-4-11(10-12)13(17)15-6-9-16-7-1-2-8-16;;/h3-5,10H,1-2,6-9,14H2,(H,15,17);2*1H
InChIKeyIDGBBXAAOQKBIR-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.94
Rot. Bonds4

About 3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride

3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride (PubChem CID 119834336) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is 3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
PubChem CID119834336
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)NCCN2CCCC2)c1
InChIInChI=1S/C13H19N3O.2ClH/c14-12-5-3-4-11(10-12)13(17)15-6-9-16-7-1-2-8-16;;/h3-5,10H,1-2,6-9,14H2,(H,15,17);2*1H
InChIKeyIDGBBXAAOQKBIR-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride (CID 119834336) is 3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride is Cl.Cl.Nc1cccc(C(=O)NCCN2CCCC2)c1.
What is the InChIKey of 3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride?
The InChIKey is IDGBBXAAOQKBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.2ClH/c14-12-5-3-4-11(10-12)13(17)15-6-9-16-7-1-2-8-16;;/h3-5,10H,1-2,6-9,14H2,(H,15,17);2*1H.
What are the key properties of 3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride?
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride has a molecular weight of 306.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119834336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).