N-(3-phenylpropyl)-9H-fluorene-9-carboxamide

C23H21NO — CID 3306148

IUPACN-(3-phenylpropyl)-9H-fluorene-9-carboxamide
SMILESO=C(NCCCc1ccccc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21NO/c25-23(24-16-8-11-17-9-2-1-3-10-17)22-20-14-6-4-12-18(20)19-13-5-7-15-21(19)22/h1-7,9-10,12-15,22H,8,11,16H2,(H,24,25)
InChIKeyFQUWMINXMIXZBV-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.55
Rot. Bonds5

About N-(3-phenylpropyl)-9H-fluorene-9-carboxamide

N-(3-phenylpropyl)-9H-fluorene-9-carboxamide (PubChem CID 3306148) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3-phenylpropyl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-9H-fluorene-9-carboxamide
PubChem CID3306148
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC NameN-(3-phenylpropyl)-9H-fluorene-9-carboxamide
SMILESO=C(NCCCc1ccccc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21NO/c25-23(24-16-8-11-17-9-2-1-3-10-17)22-20-14-6-4-12-18(20)19-13-5-7-15-21(19)22/h1-7,9-10,12-15,22H,8,11,16H2,(H,24,25)
InChIKeyFQUWMINXMIXZBV-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-9H-fluorene-9-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-9H-fluorene-9-carboxamide (CID 3306148) is N-(3-phenylpropyl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-9H-fluorene-9-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-9H-fluorene-9-carboxamide is O=C(NCCCc1ccccc1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-(3-phenylpropyl)-9H-fluorene-9-carboxamide?
The InChIKey is FQUWMINXMIXZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c25-23(24-16-8-11-17-9-2-1-3-10-17)22-20-14-6-4-12-18(20)19-13-5-7-15-21(19)22/h1-7,9-10,12-15,22H,8,11,16H2,(H,24,25).
What are the key properties of N-(3-phenylpropyl)-9H-fluorene-9-carboxamide?
N-(3-phenylpropyl)-9H-fluorene-9-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 3306148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).