N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride

C20H24ClN3O2 — CID 119422848

IUPACN-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)c1ccc(N2CCC(C(=O)Nc3ccccc3N)C2=O)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-13(2)14-7-9-15(10-8-14)23-12-11-16(20(23)25)19(24)22-18-6-4-3-5-17(18)21;/h3-10,13,16H,11-12,21H2,1-2H3,(H,22,24);1H
InChIKeyQCXRLZDOWJBWEU-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.81
Rot. Bonds4

About N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119422848) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119422848
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)c1ccc(N2CCC(C(=O)Nc3ccccc3N)C2=O)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-13(2)14-7-9-15(10-8-14)23-12-11-16(20(23)25)19(24)22-18-6-4-3-5-17(18)21;/h3-10,13,16H,11-12,21H2,1-2H3,(H,22,24);1H
InChIKeyQCXRLZDOWJBWEU-UHFFFAOYSA-N
XLogP3.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119422849
N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119440918
N-(3-aminopropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119409081
N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46048508
N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42853497
N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 20964176
N-[3-(aminomethyl)pentan-3-yl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119572133
3-[4-(methylamino)piperidine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 119564103
N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 86882791
N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119585315
N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 46062412
2-[methyl-[2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 119172571

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119422848) is N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride is CC(C)c1ccc(N2CCC(C(=O)Nc3ccccc3N)C2=O)cc1.Cl.
What is the InChIKey of N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is QCXRLZDOWJBWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-13(2)14-7-9-15(10-8-14)23-12-11-16(20(23)25)19(24)22-18-6-4-3-5-17(18)21;/h3-10,13,16H,11-12,21H2,1-2H3,(H,22,24);1H.
What are the key properties of N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119422848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).