2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide

C17H13FN2O3 — CID 973483

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3/c18-12-7-5-11(6-8-12)9-19-15(21)10-20-16(22)13-3-1-2-4-14(13)17(20)23/h1-8H,9-10H2,(H,19,21)
InChIKeyZCNQTZJBUZNGOP-UHFFFAOYSA-N
MW312.30 g/mol
LogP1.74
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 973483) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID973483
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3/c18-12-7-5-11(6-8-12)9-19-15(21)10-20-16(22)13-3-1-2-4-14(13)17(20)23/h1-8H,9-10H2,(H,19,21)
InChIKeyZCNQTZJBUZNGOP-UHFFFAOYSA-N
XLogP1.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 51.74
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 2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 973483) is 2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is ZCNQTZJBUZNGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-12-7-5-11(6-8-12)9-19-15(21)10-20-16(22)13-3-1-2-4-14(13)17(20)23/h1-8H,9-10H2,(H,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 312.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 973483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).