2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one

C19H19FN2O2 — CID 15372519

IUPAC2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
SMILESO=C1Cc2c(ccc3c2OC(CNCc2ccc(F)cc2)CC3)N1
InChIInChI=1S/C19H19FN2O2/c20-14-5-1-12(2-6-14)10-21-11-15-7-3-13-4-8-17-16(19(13)24-15)9-18(23)22-17/h1-2,4-6,8,15,21H,3,7,9-11H2,(H,22,23)
InChIKeyKTDQEAUIGNQCJL-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.80
Rot. Bonds4

About 2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one

2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one (PubChem CID 15372519) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
PubChem CID15372519
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
SMILESO=C1Cc2c(ccc3c2OC(CNCc2ccc(F)cc2)CC3)N1
InChIInChI=1S/C19H19FN2O2/c20-14-5-1-12(2-6-14)10-21-11-15-7-3-13-4-8-17-16(19(13)24-15)9-18(23)22-17/h1-2,4-6,8,15,21H,3,7,9-11H2,(H,22,23)
InChIKeyKTDQEAUIGNQCJL-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one?
The IUPAC name of 2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one (CID 15372519) is 2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one.
What is the SMILES notation for 2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one?
The canonical SMILES for 2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one is O=C1Cc2c(ccc3c2OC(CNCc2ccc(F)cc2)CC3)N1.
What is the InChIKey of 2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one?
The InChIKey is KTDQEAUIGNQCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-14-5-1-12(2-6-14)10-21-11-15-7-3-13-4-8-17-16(19(13)24-15)9-18(23)22-17/h1-2,4-6,8,15,21H,3,7,9-11H2,(H,22,23).
What are the key properties of 2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one?
2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one has a molecular weight of 326.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one is sourced from PubChem (CID 15372519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).