N-tert-butyl-9-oxofluorene-1-carboxamide

C18H17NO2 — CID 2729017

IUPACN-tert-butyl-9-oxofluorene-1-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C18H17NO2/c1-18(2,3)19-17(21)14-10-6-9-12-11-7-4-5-8-13(11)16(20)15(12)14/h4-10H,1-3H3,(H,19,21)
InChIKeyRPUWMIONVSXASO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.43
Rot. Bonds1

About N-tert-butyl-9-oxofluorene-1-carboxamide

N-tert-butyl-9-oxofluorene-1-carboxamide (PubChem CID 2729017) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-tert-butyl-9-oxofluorene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-9-oxofluorene-1-carboxamide
PubChem CID2729017
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-tert-butyl-9-oxofluorene-1-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C18H17NO2/c1-18(2,3)19-17(21)14-10-6-9-12-11-7-4-5-8-13(11)16(20)15(12)14/h4-10H,1-3H3,(H,19,21)
InChIKeyRPUWMIONVSXASO-UHFFFAOYSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-9-oxofluorene-1-carboxamide?
The IUPAC name of N-tert-butyl-9-oxofluorene-1-carboxamide (CID 2729017) is N-tert-butyl-9-oxofluorene-1-carboxamide.
What is the SMILES notation for N-tert-butyl-9-oxofluorene-1-carboxamide?
The canonical SMILES for N-tert-butyl-9-oxofluorene-1-carboxamide is CC(C)(C)NC(=O)c1cccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of N-tert-butyl-9-oxofluorene-1-carboxamide?
The InChIKey is RPUWMIONVSXASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-18(2,3)19-17(21)14-10-6-9-12-11-7-4-5-8-13(11)16(20)15(12)14/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-9-oxofluorene-1-carboxamide?
N-tert-butyl-9-oxofluorene-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-9-oxofluorene-1-carboxamide is sourced from PubChem (CID 2729017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).