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

C22H15FN2O3 — CID 8870691

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H15FN2O3/c23-19-8-4-1-5-15(19)13-24-20(26)14-9-11-16(12-10-14)25-21(27)17-6-2-3-7-18(17)22(25)28/h1-12H,13H2,(H,24,26)
InChIKeyDPOOLPLUMLBMOG-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.56
Rot. Bonds4

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

4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 8870691) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID8870691
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H15FN2O3/c23-19-8-4-1-5-15(19)13-24-20(26)14-9-11-16(12-10-14)25-21(27)17-6-2-3-7-18(17)22(25)28/h1-12H,13H2,(H,24,26)
InChIKeyDPOOLPLUMLBMOG-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 110343482
2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 8643091
4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 17234242
4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 2254820
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 168519610
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 1188867

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide (CID 8870691) is 4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide is O=C(NCc1ccccc1F)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is DPOOLPLUMLBMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O3/c23-19-8-4-1-5-15(19)13-24-20(26)14-9-11-16(12-10-14)25-21(27)17-6-2-3-7-18(17)22(25)28/h1-12H,13H2,(H,24,26).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 374.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 8870691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).