2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride

C19H25Cl2N3O — CID 119854864

IUPAC2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NCC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C19H23N3O.2ClH/c20-17-8-6-15(7-9-17)12-19(23)21-13-16-10-11-22(14-16)18-4-2-1-3-5-18;;/h1-9,16H,10-14,20H2,(H,21,23);2*1H
InChIKeyDDOSZYMCMQBRGK-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.30
Rot. Bonds5

About 2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride

2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride (PubChem CID 119854864) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
PubChem CID119854864
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NCC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C19H23N3O.2ClH/c20-17-8-6-15(7-9-17)12-19(23)21-13-16-10-11-22(14-16)18-4-2-1-3-5-18;;/h1-9,16H,10-14,20H2,(H,21,23);2*1H
InChIKeyDDOSZYMCMQBRGK-UHFFFAOYSA-N
XLogP3.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 43064994
2-[(4-methylphenyl)methylsulfanyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55621850
2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97220298
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46402981
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 51939102
N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119854923
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124787391

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride (CID 119854864) is 2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride is Cl.Cl.Nc1ccc(CC(=O)NCC2CCN(c3ccccc3)C2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The InChIKey is DDOSZYMCMQBRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c20-17-8-6-15(7-9-17)12-19(23)21-13-16-10-11-22(14-16)18-4-2-1-3-5-18;;/h1-9,16H,10-14,20H2,(H,21,23);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119854864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).