N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide

C20H18F2N2O2 — CID 154875961

IUPACN-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1oc2ccc(NC(=O)N3CCc4cc(F)c(F)cc4C3)cc2c1C
InChIInChI=1S/C20H18F2N2O2/c1-11-12(2)26-19-4-3-15(9-16(11)19)23-20(25)24-6-5-13-7-17(21)18(22)8-14(13)10-24/h3-4,7-9H,5-6,10H2,1-2H3,(H,23,25)
InChIKeyJNIGODHERAODBM-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.92
Rot. Bonds1

About N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 154875961) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID154875961
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC NameN-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1oc2ccc(NC(=O)N3CCc4cc(F)c(F)cc4C3)cc2c1C
InChIInChI=1S/C20H18F2N2O2/c1-11-12(2)26-19-4-3-15(9-16(11)19)23-20(25)24-6-5-13-7-17(21)18(22)8-14(13)10-24/h3-4,7-9H,5-6,10H2,1-2H3,(H,23,25)
InChIKeyJNIGODHERAODBM-UHFFFAOYSA-N
XLogP4.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 154757217
2-[[4-[(2,3-dimethyl-1-benzofuran-5-yl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122090249
N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide
CID 110647107
N-(3-carbamoyl-4-fluorophenyl)-7-chloro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75434933
6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 27869928
N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 162376975
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide
CID 162376955
N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide
CID 24896972
6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 125167835
N-(3,4-dimethylphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869733
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 162376952

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 154875961) is N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1oc2ccc(NC(=O)N3CCc4cc(F)c(F)cc4C3)cc2c1C.
What is the InChIKey of N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is JNIGODHERAODBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-11-12(2)26-19-4-3-15(9-16(11)19)23-20(25)24-6-5-13-7-17(21)18(22)8-14(13)10-24/h3-4,7-9H,5-6,10H2,1-2H3,(H,23,25).
What are the key properties of N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 154875961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).