N-(2-methylpropyl)-9-oxofluorene-4-carboxamide

C18H17NO2 — CID 717912

IUPACN-(2-methylpropyl)-9-oxofluorene-4-carboxamide
SMILESCC(C)CNC(=O)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C18H17NO2/c1-11(2)10-19-18(21)15-9-5-8-14-16(15)12-6-3-4-7-13(12)17(14)20/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyBASZEXFXUWLJOD-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.28
Rot. Bonds3

About N-(2-methylpropyl)-9-oxofluorene-4-carboxamide

N-(2-methylpropyl)-9-oxofluorene-4-carboxamide (PubChem CID 717912) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-9-oxofluorene-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-9-oxofluorene-4-carboxamide
PubChem CID717912
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-(2-methylpropyl)-9-oxofluorene-4-carboxamide
SMILESCC(C)CNC(=O)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C18H17NO2/c1-11(2)10-19-18(21)15-9-5-8-14-16(15)12-6-3-4-7-13(12)17(14)20/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyBASZEXFXUWLJOD-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-9-oxofluorene-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-9-oxofluorene-4-carboxamide (CID 717912) is N-(2-methylpropyl)-9-oxofluorene-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-9-oxofluorene-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-9-oxofluorene-4-carboxamide is CC(C)CNC(=O)c1cccc2c1-c1ccccc1C2=O.
What is the InChIKey of N-(2-methylpropyl)-9-oxofluorene-4-carboxamide?
The InChIKey is BASZEXFXUWLJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-11(2)10-19-18(21)15-9-5-8-14-16(15)12-6-3-4-7-13(12)17(14)20/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methylpropyl)-9-oxofluorene-4-carboxamide?
N-(2-methylpropyl)-9-oxofluorene-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-9-oxofluorene-4-carboxamide is sourced from PubChem (CID 717912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).