N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide

C17H12F4N2O2 — CID 56690712

IUPACN-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(F)(F)C(F)(F)O2)N1CCc2ccccc21
InChIInChI=1S/C17H12F4N2O2/c18-16(19)12-9-11(5-6-14(12)25-17(16,20)21)22-15(24)23-8-7-10-3-1-2-4-13(10)23/h1-6,9H,7-8H2,(H,22,24)
InChIKeyVXPPDNSRLRGIDC-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.36
Rot. Bonds1

About N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide

N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide (PubChem CID 56690712) has the molecular formula C17H12F4N2O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide
PubChem CID56690712
Molecular FormulaC17H12F4N2O2
Molecular Weight352.29 g/mol
Exact Mass352.08
IUPAC NameN-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(F)(F)C(F)(F)O2)N1CCc2ccccc21
InChIInChI=1S/C17H12F4N2O2/c18-16(19)12-9-11(5-6-14(12)25-17(16,20)21)22-15(24)23-8-7-10-3-1-2-4-13(10)23/h1-6,9H,7-8H2,(H,22,24)
InChIKeyVXPPDNSRLRGIDC-UHFFFAOYSA-N
XLogP4.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-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-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
CID 144672697
CID 144672697
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2897905
N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide
CID 3235768
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-[(2S)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-2,3-dihydroindole-1-carboxamide
CID 993032
N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 143736687
N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108886503

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide (CID 56690712) is N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide is O=C(Nc1ccc2c(c1)C(F)(F)C(F)(F)O2)N1CCc2ccccc21.
What is the InChIKey of N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is VXPPDNSRLRGIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2/c18-16(19)12-9-11(5-6-14(12)25-17(16,20)21)22-15(24)23-8-7-10-3-1-2-4-13(10)23/h1-6,9H,7-8H2,(H,22,24).
What are the key properties of N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide?
N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 352.29 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 56690712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).