(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide

C14H15FN2O3 — CID 155213179

IUPAC(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1ccccc1F)N1C(=O)CCC1=O
InChIInChI=1S/C14H15FN2O3/c1-9(17-12(18)6-7-13(17)19)14(20)16-8-10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3,(H,16,20)/t9-/m1/s1
InChIKeyIGUNWCNGGGHVCW-SECBINFHSA-N
MW278.28 g/mol
LogP0.98
Rot. Bonds4

About (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide

(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 155213179) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID155213179
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1ccccc1F)N1C(=O)CCC1=O
InChIInChI=1S/C14H15FN2O3/c1-9(17-12(18)6-7-13(17)19)14(20)16-8-10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3,(H,16,20)/t9-/m1/s1
InChIKeyIGUNWCNGGGHVCW-SECBINFHSA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide (CID 155213179) is (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide is C[C@H](C(=O)NCc1ccccc1F)N1C(=O)CCC1=O.
What is the InChIKey of (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is IGUNWCNGGGHVCW-SECBINFHSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-9(17-12(18)6-7-13(17)19)14(20)16-8-10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3,(H,16,20)/t9-/m1/s1.
What are the key properties of (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide?
(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 278.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 155213179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).