N-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide

C15H13FN2O — CID 14956447

IUPACN-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide
SMILESO=C(NN1Cc2ccccc2C1)c1ccccc1F
InChIInChI=1S/C15H13FN2O/c16-14-8-4-3-7-13(14)15(19)17-18-9-11-5-1-2-6-12(11)10-18/h1-8H,9-10H2,(H,17,19)
InChIKeyZHUDEDRRMCCNFX-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.49
Rot. Bonds2

About N-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide

N-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide (PubChem CID 14956447) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is N-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide
PubChem CID14956447
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC NameN-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide
SMILESO=C(NN1Cc2ccccc2C1)c1ccccc1F
InChIInChI=1S/C15H13FN2O/c16-14-8-4-3-7-13(14)15(19)17-18-9-11-5-1-2-6-12(11)10-18/h1-8H,9-10H2,(H,17,19)
InChIKeyZHUDEDRRMCCNFX-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Benzylisoindolin-1-one
CID 1485883
N-Aminophthalimide
CID 74645
Benzeneacetamide, N-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
CID 809038
2-[(2-Fluorophenyl)methyl]isoindole-1,3-dione
CID 7688293
N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexanecarboxamide
CID 833166
2-[6-[(4-Fluorophenyl)methylamino]hexyl]isoindole-1,3-dione
CID 118733334
6-fluoro-2,3-dihydro-1H-isoindol-1-one
CID 19788105
2-[(4-Fluorobenzoyl)amino]-1-isoindoliniminium bromide
CID 2980117
N-(1-iminoisoindolin-2-yl)benzamide
CID 4452901
2-[7-[(4-Fluorophenyl)methylamino]heptyl]isoindole-1,3-dione
CID 60167502
N-tert-butyl-N'-(3-fluorobenzoyl)-2-methylbenzohydrazide
CID 76330979
2-(5-(2-Fluorobenzylamino)pentyl)isoindoline-1,3-dione
CID 118733328

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide (CID 14956447) is N-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide is O=C(NN1Cc2ccccc2C1)c1ccccc1F.
What is the InChIKey of N-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide?
The InChIKey is ZHUDEDRRMCCNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-14-8-4-3-7-13(14)15(19)17-18-9-11-5-1-2-6-12(11)10-18/h1-8H,9-10H2,(H,17,19).
What are the key properties of N-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide?
N-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide has a molecular weight of 256.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroisoindol-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 14956447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).