N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide

C24H24FN3O2 — CID 2718685

IUPACN-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C24H24FN3O2/c1-2-27-16-17(18-9-4-6-12-22(18)27)15-21(24(30)28-13-7-8-14-28)26-23(29)19-10-3-5-11-20(19)25/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3,(H,26,29)/b21-15-
InChIKeyFVRUTMHAPAOYCV-QNGOZBTKSA-N
MW405.47 g/mol
LogP4.19
Rot. Bonds5

About N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide

N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide (PubChem CID 2718685) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide
PubChem CID2718685
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C24H24FN3O2/c1-2-27-16-17(18-9-4-6-12-22(18)27)15-21(24(30)28-13-7-8-14-28)26-23(29)19-10-3-5-11-20(19)25/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3,(H,26,29)/b21-15-
InChIKeyFVRUTMHAPAOYCV-QNGOZBTKSA-N
XLogP4.19
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide (CID 2718685) is N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide is CCn1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide?
The InChIKey is FVRUTMHAPAOYCV-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-2-27-16-17(18-9-4-6-12-22(18)27)15-21(24(30)28-13-7-8-14-28)26-23(29)19-10-3-5-11-20(19)25/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3,(H,26,29)/b21-15-.
What are the key properties of N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide?
N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide has a molecular weight of 405.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 2718685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).