N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide

C28H25NO — CID 22891455

IUPACN-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide
SMILESCCCC1(C(=O)NCc2cccc3ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H25NO/c1-2-18-28(25-16-7-5-14-23(25)24-15-6-8-17-26(24)28)27(30)29-19-21-12-9-11-20-10-3-4-13-22(20)21/h3-17H,2,18-19H2,1H3,(H,29,30)
InChIKeyAOZCBOBFCALJOQ-UHFFFAOYSA-N
MW391.51 g/mol
LogP6.22
Rot. Bonds5

About N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide

N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide (PubChem CID 22891455) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide
PubChem CID22891455
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC NameN-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide
SMILESCCCC1(C(=O)NCc2cccc3ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H25NO/c1-2-18-28(25-16-7-5-14-23(25)24-15-6-8-17-26(24)28)27(30)29-19-21-12-9-11-20-10-3-4-13-22(20)21/h3-17H,2,18-19H2,1H3,(H,29,30)
InChIKeyAOZCBOBFCALJOQ-UHFFFAOYSA-N
XLogP6.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide (CID 22891455) is N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide is CCCC1(C(=O)NCc2cccc3ccccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide?
The InChIKey is AOZCBOBFCALJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO/c1-2-18-28(25-16-7-5-14-23(25)24-15-6-8-17-26(24)28)27(30)29-19-21-12-9-11-20-10-3-4-13-22(20)21/h3-17H,2,18-19H2,1H3,(H,29,30).
What are the key properties of N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide?
N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-9-propylfluorene-9-carboxamide is sourced from PubChem (CID 22891455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).