3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C19H25ClFN3O2 — CID 119785221

IUPAC3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCN(C(=O)C1C2CCC(C2)C1N)C1CCN(c2ccccc2F)C1=O.Cl
InChIInChI=1S/C19H24FN3O2.ClH/c1-22(19(25)16-11-6-7-12(10-11)17(16)21)15-8-9-23(18(15)24)14-5-3-2-4-13(14)20;/h2-5,11-12,15-17H,6-10,21H2,1H3;1H
InChIKeyKYELQEHGQVXCQJ-UHFFFAOYSA-N
MW381.88 g/mol
LogP2.18
Rot. Bonds3

About 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119785221) has the molecular formula C19H25ClFN3O2 and a molecular weight of 381.88 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119785221
Molecular FormulaC19H25ClFN3O2
Molecular Weight381.88 g/mol
Exact Mass381.16
IUPAC Name3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCN(C(=O)C1C2CCC(C2)C1N)C1CCN(c2ccccc2F)C1=O.Cl
InChIInChI=1S/C19H24FN3O2.ClH/c1-22(19(25)16-11-6-7-12(10-11)17(16)21)15-8-9-23(18(15)24)14-5-3-2-4-13(14)20;/h2-5,11-12,15-17H,6-10,21H2,1H3;1H
InChIKeyKYELQEHGQVXCQJ-UHFFFAOYSA-N
XLogP2.18
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119785221) is 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CN(C(=O)C1C2CCC(C2)C1N)C1CCN(c2ccccc2F)C1=O.Cl.
What is the InChIKey of 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is KYELQEHGQVXCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2.ClH/c1-22(19(25)16-11-6-7-12(10-11)17(16)21)15-8-9-23(18(15)24)14-5-3-2-4-13(14)20;/h2-5,11-12,15-17H,6-10,21H2,1H3;1H.
What are the key properties of 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 381.88 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119785221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).