N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide

C16H14F2N2O — CID 105062382

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1cc(F)ccc1F
InChIInChI=1S/C16H14F2N2O/c17-13-3-4-15(18)14(6-13)16(21)20-7-10-1-2-11-8-19-9-12(11)5-10/h1-6,19H,7-9H2,(H,20,21)
InChIKeyOMXWAHHMCGLJBW-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.50
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide (PubChem CID 105062382) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide
PubChem CID105062382
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1cc(F)ccc1F
InChIInChI=1S/C16H14F2N2O/c17-13-3-4-15(18)14(6-13)16(21)20-7-10-1-2-11-8-19-9-12(11)5-10/h1-6,19H,7-9H2,(H,20,21)
InChIKeyOMXWAHHMCGLJBW-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluoropyridine-4-carboxamide
CID 105062273
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
CID 105062315
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide
CID 167766096
3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide
CID 105062320
N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide
CID 106688632
5-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-2-carboxamide
CID 105062322
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide
CID 167913641
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea
CID 105357655
4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide
CID 146081779
3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide
CID 105062327
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,1-dimethylurea
CID 105357649

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide (CID 105062382) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide is O=C(NCc1ccc2c(c1)CNC2)c1cc(F)ccc1F.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide?
The InChIKey is OMXWAHHMCGLJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-13-3-4-15(18)14(6-13)16(21)20-7-10-1-2-11-8-19-9-12(11)5-10/h1-6,19H,7-9H2,(H,20,21).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide has a molecular weight of 288.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide is sourced from PubChem (CID 105062382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).