5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride

C19H19ClF3N3O3 — CID 120633308

IUPAC5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O.Cl
InChIInChI=1S/C19H18F3N3O3.ClH/c1-11-5-6-12(23)9-15(11)17(26)24-16-7-8-25(18(16)27)13-3-2-4-14(10-13)28-19(20,21)22;/h2-6,9-10,16H,7-8,23H2,1H3,(H,24,26);1H
InChIKeyLDQNEUMMNFPJAA-UHFFFAOYSA-N
MW429.83 g/mol
LogP3.43
Rot. Bonds4

About 5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride

5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride (PubChem CID 120633308) has the molecular formula C19H19ClF3N3O3 and a molecular weight of 429.83 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride
PubChem CID120633308
Molecular FormulaC19H19ClF3N3O3
Molecular Weight429.83 g/mol
Exact Mass429.11
IUPAC Name5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O.Cl
InChIInChI=1S/C19H18F3N3O3.ClH/c1-11-5-6-12(23)9-15(11)17(26)24-16-7-8-25(18(16)27)13-3-2-4-14(10-13)28-19(20,21)22;/h2-6,9-10,16H,7-8,23H2,1H3,(H,24,26);1H
InChIKeyLDQNEUMMNFPJAA-UHFFFAOYSA-N
XLogP3.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride (CID 120633308) is 5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride?
The InChIKey is LDQNEUMMNFPJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3.ClH/c1-11-5-6-12(23)9-15(11)17(26)24-16-7-8-25(18(16)27)13-3-2-4-14(10-13)28-19(20,21)22;/h2-6,9-10,16H,7-8,23H2,1H3,(H,24,26);1H.
What are the key properties of 5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride?
5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride has a molecular weight of 429.83 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride is sourced from PubChem (CID 120633308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).