5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride

C19H22ClN3O2 — CID 120631203

IUPAC5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)C1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-13-8-9-14(20)12-16(13)18(23)21(2)17-10-11-22(19(17)24)15-6-4-3-5-7-15;/h3-9,12,17H,10-11,20H2,1-2H3;1H
InChIKeyNTHYCQOGRKRXBQ-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.88
Rot. Bonds3

About 5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride

5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride (PubChem CID 120631203) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride
PubChem CID120631203
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)C1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-13-8-9-14(20)12-16(13)18(23)21(2)17-10-11-22(19(17)24)15-6-4-3-5-7-15;/h3-9,12,17H,10-11,20H2,1-2H3;1H
InChIKeyNTHYCQOGRKRXBQ-UHFFFAOYSA-N
XLogP2.88
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride?
The IUPAC name of 5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride (CID 120631203) is 5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)N(C)C1CCN(c2ccccc2)C1=O.Cl.
What is the InChIKey of 5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride?
The InChIKey is NTHYCQOGRKRXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c1-13-8-9-14(20)12-16(13)18(23)21(2)17-10-11-22(19(17)24)15-6-4-3-5-7-15;/h3-9,12,17H,10-11,20H2,1-2H3;1H.
What are the key properties of 5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride?
5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 120631203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).