N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C15H12F2N2O — CID 103997882

IUPACN-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H12F2N2O/c16-12-2-1-3-13(17)14(12)19-15(20)9-4-5-10-7-18-8-11(10)6-9/h1-6,18H,7-8H2,(H,19,20)
InChIKeyRZHPSUNXHCZUNH-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.82
Rot. Bonds2

About N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103997882) 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-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103997882
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC NameN-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H12F2N2O/c16-12-2-1-3-13(17)14(12)19-15(20)9-4-5-10-7-18-8-11(10)6-9/h1-6,18H,7-8H2,(H,19,20)
InChIKeyRZHPSUNXHCZUNH-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997721
N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 81314550
N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997885
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984
N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
N-(3-aminopropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998692
N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 116786865
N-(3-nitrophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997874
N-(2,6-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956615
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449
N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 107600018

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103997882) is N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide is O=C(Nc1c(F)cccc1F)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is RZHPSUNXHCZUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c16-12-2-1-3-13(17)14(12)19-15(20)9-4-5-10-7-18-8-11(10)6-9/h1-6,18H,7-8H2,(H,19,20).
What are the key properties of N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 274.27 g/mol, XLogP of 2.82, 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-5-carboxamide is sourced from PubChem (CID 103997882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).