2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride

C19H22ClN3O2 — CID 119757803

IUPAC2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)NC2CCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H21N3O2.ClH/c20-16-8-6-14(7-9-16)12-18(23)21-17-10-11-22(19(17)24)13-15-4-2-1-3-5-15;/h1-9,17H,10-13,20H2,(H,21,23);1H
InChIKeyBLEOHGCMLRPPFI-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.15
Rot. Bonds5

About 2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride

2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride (PubChem CID 119757803) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
PubChem CID119757803
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)NC2CCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H21N3O2.ClH/c20-16-8-6-14(7-9-16)12-18(23)21-17-10-11-22(19(17)24)13-15-4-2-1-3-5-15;/h1-9,17H,10-13,20H2,(H,21,23);1H
InChIKeyBLEOHGCMLRPPFI-UHFFFAOYSA-N
XLogP2.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.15
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

N,N'-bis[1-[(4-aminophenyl)methyl]-2-oxopiperidin-3-yl]hexanediamide
CID 11226606
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide
CID 97222893
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609
N-(1-benzyl-2-oxopyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757847
4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674455
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 119048382
N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 124734504
2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119328833
N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 95589689
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94824555

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride (CID 119757803) is 2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride is Cl.Nc1ccc(CC(=O)NC2CCN(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride?
The InChIKey is BLEOHGCMLRPPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c20-16-8-6-14(7-9-16)12-18(23)21-17-10-11-22(19(17)24)13-15-4-2-1-3-5-15;/h1-9,17H,10-13,20H2,(H,21,23);1H.
What are the key properties of 2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 2.15, 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-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119757803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).