1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H23FN2O2 — CID 46110065

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1CC(=O)N(C2CC3CCC2C3)C1
InChIInChI=1S/C19H23FN2O2/c20-16-4-2-1-3-14(16)10-21-19(24)15-9-18(23)22(11-15)17-8-12-5-6-13(17)7-12/h1-4,12-13,15,17H,5-11H2,(H,21,24)
InChIKeyVAYDHFBNIZFJKD-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.48
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46110065) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46110065
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1CC(=O)N(C2CC3CCC2C3)C1
InChIInChI=1S/C19H23FN2O2/c20-16-4-2-1-3-14(16)10-21-19(24)15-9-18(23)22(11-15)17-8-12-5-6-13(17)7-12/h1-4,12-13,15,17H,5-11H2,(H,21,24)
InChIKeyVAYDHFBNIZFJKD-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 46110065) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1F)C1CC(=O)N(C2CC3CCC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VAYDHFBNIZFJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-16-4-2-1-3-14(16)10-21-19(24)15-9-18(23)22(11-15)17-8-12-5-6-13(17)7-12/h1-4,12-13,15,17H,5-11H2,(H,21,24).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46110065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).