N-butyl-9-propylfluorene-9-carboxamide

C21H25NO — CID 22891586

IUPACN-butyl-9-propylfluorene-9-carboxamide
SMILESCCCCNC(=O)C1(CCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO/c1-3-5-15-22-20(23)21(14-4-2)18-12-8-6-10-16(18)17-11-7-9-13-19(17)21/h6-13H,3-5,14-15H2,1-2H3,(H,22,23)
InChIKeyWICWTOBHPMSVNC-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.67
Rot. Bonds6

About N-butyl-9-propylfluorene-9-carboxamide

N-butyl-9-propylfluorene-9-carboxamide (PubChem CID 22891586) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-butyl-9-propylfluorene-9-carboxamide.

Molecular Properties

Compound NameN-butyl-9-propylfluorene-9-carboxamide
PubChem CID22891586
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-butyl-9-propylfluorene-9-carboxamide
SMILESCCCCNC(=O)C1(CCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO/c1-3-5-15-22-20(23)21(14-4-2)18-12-8-6-10-16(18)17-11-7-9-13-19(17)21/h6-13H,3-5,14-15H2,1-2H3,(H,22,23)
InChIKeyWICWTOBHPMSVNC-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.67
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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Related Compounds

9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide
CID 22891380
N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide
CID 22891520
N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide
CID 22891455
9-[5-(1H-benzimidazol-2-ylsulfanyl)pentyl]-N-propylfluorene-9-carboxamide
CID 22891311
9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide
CID 10231635
1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one
CID 67497909
N-butyl-1,3-dioxoisoindole-2-carboxamide
CID 154333492
[1-butyl-2-[9-(propylcarbamoyl)fluoren-9-yl]azetidin-2-yl]carbamic acid
CID 67602924
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
N-butyl-2-phenylbenzamide
CID 21064565
1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707

Frequently Asked Questions

What is the IUPAC name of N-butyl-9-propylfluorene-9-carboxamide?
The IUPAC name of N-butyl-9-propylfluorene-9-carboxamide (CID 22891586) is N-butyl-9-propylfluorene-9-carboxamide.
What is the SMILES notation for N-butyl-9-propylfluorene-9-carboxamide?
The canonical SMILES for N-butyl-9-propylfluorene-9-carboxamide is CCCCNC(=O)C1(CCC)c2ccccc2-c2ccccc21.
What is the InChIKey of N-butyl-9-propylfluorene-9-carboxamide?
The InChIKey is WICWTOBHPMSVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-3-5-15-22-20(23)21(14-4-2)18-12-8-6-10-16(18)17-11-7-9-13-19(17)21/h6-13H,3-5,14-15H2,1-2H3,(H,22,23).
What are the key properties of N-butyl-9-propylfluorene-9-carboxamide?
N-butyl-9-propylfluorene-9-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-9-propylfluorene-9-carboxamide is sourced from PubChem (CID 22891586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).