N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide

C26H26N2O — CID 22888133

IUPACN-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide
SMILESO=C(NC1CCN(CCc2ccccc2)C1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O/c29-26(25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25)27-20-15-17-28(18-20)16-14-19-8-2-1-3-9-19/h1-13,20,25H,14-18H2,(H,27,29)
InChIKeyLGLFACFIWTWTRJ-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.23
Rot. Bonds5

About N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide

N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide (PubChem CID 22888133) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide
PubChem CID22888133
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC NameN-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide
SMILESO=C(NC1CCN(CCc2ccccc2)C1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O/c29-26(25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25)27-20-15-17-28(18-20)16-14-19-8-2-1-3-9-19/h1-13,20,25H,14-18H2,(H,27,29)
InChIKeyLGLFACFIWTWTRJ-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
(5S)-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1,4-diazabicyclo[3.2.1]octane-4-carboxamide
CID 22888066
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-fluorene-9-carboxamide
CID 70173377
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 70690145
N-(1-benzylpiperidin-4-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53181864
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide?
The IUPAC name of N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide (CID 22888133) is N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide?
The canonical SMILES for N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide is O=C(NC1CCN(CCc2ccccc2)C1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide?
The InChIKey is LGLFACFIWTWTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c29-26(25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25)27-20-15-17-28(18-20)16-14-19-8-2-1-3-9-19/h1-13,20,25H,14-18H2,(H,27,29).
What are the key properties of N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide?
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide is sourced from PubChem (CID 22888133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).