2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride

C19H25Cl2N3O — CID 119947462

IUPAC2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride
SMILESCC(NC(=O)c1ccccc1N)c1cccc(N2CCCC2)c1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-14(21-19(23)17-9-2-3-10-18(17)20)15-7-6-8-16(13-15)22-11-4-5-12-22;;/h2-3,6-10,13-14H,4-5,11-12,20H2,1H3,(H,21,23);2*1H
InChIKeyQLZPCLJGWFSOTN-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.20
Rot. Bonds4

About 2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride

2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride (PubChem CID 119947462) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride
PubChem CID119947462
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride
SMILESCC(NC(=O)c1ccccc1N)c1cccc(N2CCCC2)c1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-14(21-19(23)17-9-2-3-10-18(17)20)15-7-6-8-16(13-15)22-11-4-5-12-22;;/h2-3,6-10,13-14H,4-5,11-12,20H2,1H3,(H,21,23);2*1H
InChIKeyQLZPCLJGWFSOTN-UHFFFAOYSA-N
XLogP4.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.20
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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2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
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N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide
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5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
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4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide
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1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
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1-(4-hydroxycyclohexyl)-3-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050637
(1S,4S)-N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride (CID 119947462) is 2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride is CC(NC(=O)c1ccccc1N)c1cccc(N2CCCC2)c1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride?
The InChIKey is QLZPCLJGWFSOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c1-14(21-19(23)17-9-2-3-10-18(17)20)15-7-6-8-16(13-15)22-11-4-5-12-22;;/h2-3,6-10,13-14H,4-5,11-12,20H2,1H3,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride?
2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119947462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).