N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide

C15H12F2N2O — CID 131736757

IUPACN-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1NCc2ccccc21
InChIInChI=1S/C15H12F2N2O/c16-11-6-3-7-12(17)14(11)19-15(20)13-10-5-2-1-4-9(10)8-18-13/h1-7,13,18H,8H2,(H,19,20)
InChIKeyZRCIZKNYZVGSHY-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.75
Rot. Bonds2

About N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide

N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide (PubChem CID 131736757) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide
PubChem CID131736757
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC NameN-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1NCc2ccccc21
InChIInChI=1S/C15H12F2N2O/c16-11-6-3-7-12(17)14(11)19-15(20)13-10-5-2-1-4-9(10)8-18-13/h1-7,13,18H,8H2,(H,19,20)
InChIKeyZRCIZKNYZVGSHY-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1-carboxamide
CID 154037515
N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide
CID 57440520
(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148995
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
1-(2,3-dihydro-1H-isoindol-1-yl)-2-methylpropan-1-one
CID 166510836
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
N-[(1-hydroxycyclopropyl)methylsulfonyl]-2,3-dihydro-1H-isoindole-1-carboxamide
CID 161134839
(1S)-N-(2,6-difluorophenyl)-2-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-dihydroisoindole-1-carboxamide
CID 90041381
N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 23333350
N-(2,6-difluorophenyl)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-1,3-dihydroisoindole-1-carboxamide
CID 140681586
2-amino-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 82235722
1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone
CID 90758928

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide (CID 131736757) is N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide is O=C(Nc1c(F)cccc1F)C1NCc2ccccc21.
What is the InChIKey of N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide?
The InChIKey is ZRCIZKNYZVGSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c16-11-6-3-7-12(17)14(11)19-15(20)13-10-5-2-1-4-9(10)8-18-13/h1-7,13,18H,8H2,(H,19,20).
What are the key properties of N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide?
N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide has a molecular weight of 274.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide is sourced from PubChem (CID 131736757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).