N-(2-phenylethyl)-9H-fluorene-9-carboxamide

C22H19NO — CID 3466062

IUPACN-(2-phenylethyl)-9H-fluorene-9-carboxamide
SMILESO=C(NCCc1ccccc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H19NO/c24-22(23-15-14-16-8-2-1-3-9-16)21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21H,14-15H2,(H,23,24)
InChIKeyXOOBEYDFZRCLSE-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.16
Rot. Bonds4

About N-(2-phenylethyl)-9H-fluorene-9-carboxamide

N-(2-phenylethyl)-9H-fluorene-9-carboxamide (PubChem CID 3466062) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-9H-fluorene-9-carboxamide
PubChem CID3466062
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC NameN-(2-phenylethyl)-9H-fluorene-9-carboxamide
SMILESO=C(NCCc1ccccc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H19NO/c24-22(23-15-14-16-8-2-1-3-9-16)21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21H,14-15H2,(H,23,24)
InChIKeyXOOBEYDFZRCLSE-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-9H-fluorene-9-carboxamide?
The IUPAC name of N-(2-phenylethyl)-9H-fluorene-9-carboxamide (CID 3466062) is N-(2-phenylethyl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-9H-fluorene-9-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-9H-fluorene-9-carboxamide is O=C(NCCc1ccccc1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-(2-phenylethyl)-9H-fluorene-9-carboxamide?
The InChIKey is XOOBEYDFZRCLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c24-22(23-15-14-16-8-2-1-3-9-16)21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21H,14-15H2,(H,23,24).
What are the key properties of N-(2-phenylethyl)-9H-fluorene-9-carboxamide?
N-(2-phenylethyl)-9H-fluorene-9-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 3466062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).