3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide

C23H19FN2O — CID 147953968

IUPAC3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide
SMILESNC(=O)c1cc(F)c(-c2ccc3c(c2)CNCC3)c2c1Cc1ccccc1-2
InChIInChI=1S/C23H19FN2O/c24-20-11-19(23(25)27)18-10-14-3-1-2-4-17(14)22(18)21(20)15-6-5-13-7-8-26-12-16(13)9-15/h1-6,9,11,26H,7-8,10,12H2,(H2,25,27)
InChIKeyIODXURPOMZSWRP-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.81
Rot. Bonds2

About 3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide

3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide (PubChem CID 147953968) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide
PubChem CID147953968
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide
SMILESNC(=O)c1cc(F)c(-c2ccc3c(c2)CNCC3)c2c1Cc1ccccc1-2
InChIInChI=1S/C23H19FN2O/c24-20-11-19(23(25)27)18-10-14-3-1-2-4-17(14)22(18)21(20)15-6-5-13-7-8-26-12-16(13)9-15/h1-6,9,11,26H,7-8,10,12H2,(H2,25,27)
InChIKeyIODXURPOMZSWRP-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide
CID 159715980
4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide
CID 160632073
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 121334078
5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide
CID 159806335
acetamide;1,2,3,4-tetrahydroisoquinoline
CID 67612975
3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide
CID 148905848
2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 56875194
4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide
CID 160532457
9H-fluorene-1-carboxamide
CID 18474131
4-(1H-indol-2-yl)-9H-fluorene-1-carboxamide
CID 173111628
(4-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609424
1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
CID 150980192

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide?
The IUPAC name of 3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide (CID 147953968) is 3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for 3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide?
The canonical SMILES for 3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide is NC(=O)c1cc(F)c(-c2ccc3c(c2)CNCC3)c2c1Cc1ccccc1-2.
What is the InChIKey of 3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide?
The InChIKey is IODXURPOMZSWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O/c24-20-11-19(23(25)27)18-10-14-3-1-2-4-17(14)22(18)21(20)15-6-5-13-7-8-26-12-16(13)9-15/h1-6,9,11,26H,7-8,10,12H2,(H2,25,27).
What are the key properties of 3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide?
3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 147953968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).