2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide

C19H17FN2O3 — CID 2232250

IUPAC2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)c3ccccc3F)cc2C1=O
InChIInChI=1S/C19H17FN2O3/c1-11(2)10-22-18(24)13-8-7-12(9-15(13)19(22)25)21-17(23)14-5-3-4-6-16(14)20/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyCTIUPHADXOXJFH-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.33
Rot. Bonds4

About 2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide

2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide (PubChem CID 2232250) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
PubChem CID2232250
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)c3ccccc3F)cc2C1=O
InChIInChI=1S/C19H17FN2O3/c1-11(2)10-22-18(24)13-8-7-12(9-15(13)19(22)25)21-17(23)14-5-3-4-6-16(14)20/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyCTIUPHADXOXJFH-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.33
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

5-chloro-2-methoxy-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
CID 1026498
N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide
CID 10783699
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(1-phenylethyl)urea
CID 108872468
1-(4-bromophenyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872403
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108872431
1-[(3-fluorophenyl)methyl]-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872736
1-(3-methylbutyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872701
2-fluoro-N-(1,3,4-trioxoisoquinolin-7-yl)benzamide
CID 58662508
1,1-bis(2-hydroxyethyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872480
4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide
CID 108872649
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(3-phenylpropyl)urea
CID 108872760
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(pyridin-2-ylmethyl)urea
CID 108872536

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide (CID 2232250) is 2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide is CC(C)CN1C(=O)c2ccc(NC(=O)c3ccccc3F)cc2C1=O.
What is the InChIKey of 2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide?
The InChIKey is CTIUPHADXOXJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-11(2)10-22-18(24)13-8-7-12(9-15(13)19(22)25)21-17(23)14-5-3-4-6-16(14)20/h3-9,11H,10H2,1-2H3,(H,21,23).
What are the key properties of 2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide?
2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide has a molecular weight of 340.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide is sourced from PubChem (CID 2232250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).