N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide

C20H19FN2O2 — CID 166421996

IUPACN-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CCC(=O)N2CCc3c(F)cccc32)cc1
InChIInChI=1S/C20H19FN2O2/c1-2-19(24)22-15-9-6-14(7-10-15)8-11-20(25)23-13-12-16-17(21)4-3-5-18(16)23/h2-7,9-10H,1,8,11-13H2,(H,22,24)
InChIKeyHYBRCDLLXKYDLX-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.47
Rot. Bonds5

About N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide

N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide (PubChem CID 166421996) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide
PubChem CID166421996
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CCC(=O)N2CCc3c(F)cccc32)cc1
InChIInChI=1S/C20H19FN2O2/c1-2-19(24)22-15-9-6-14(7-10-15)8-11-20(25)23-13-12-16-17(21)4-3-5-18(16)23/h2-7,9-10H,1,8,11-13H2,(H,22,24)
InChIKeyHYBRCDLLXKYDLX-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide (CID 166421996) is N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CCC(=O)N2CCc3c(F)cccc32)cc1.
What is the InChIKey of N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide?
The InChIKey is HYBRCDLLXKYDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-2-19(24)22-15-9-6-14(7-10-15)8-11-20(25)23-13-12-16-17(21)4-3-5-18(16)23/h2-7,9-10H,1,8,11-13H2,(H,22,24).
What are the key properties of N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide?
N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide has a molecular weight of 338.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166421996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).