N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide

C21H24FNO3 — CID 155394894

IUPACN-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide
SMILESCC1=C(/C=C\N(C=O)C2CC2)C(C)(CCCc2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H24FNO3/c1-15-19(11-13-23(14-24)18-9-10-18)21(2,26-20(15)25)12-3-4-16-5-7-17(22)8-6-16/h5-8,11,13-14,18H,3-4,9-10,12H2,1-2H3/b13-11-
InChIKeyQLGSKYVYUKMQRV-QBFSEMIESA-N
MW357.43 g/mol
LogP3.91
Rot. Bonds8

About N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide

N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide (PubChem CID 155394894) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide
PubChem CID155394894
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC NameN-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide
SMILESCC1=C(/C=C\N(C=O)C2CC2)C(C)(CCCc2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H24FNO3/c1-15-19(11-13-23(14-24)18-9-10-18)21(2,26-20(15)25)12-3-4-16-5-7-17(22)8-6-16/h5-8,11,13-14,18H,3-4,9-10,12H2,1-2H3/b13-11-
InChIKeyQLGSKYVYUKMQRV-QBFSEMIESA-N
XLogP3.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide with MolForge

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Related Compounds

5-Cyclopropyl-1-[2-(4-fluorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
CID 155384863
5-Cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
CID 155384881
5-Cyclopropyl-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
CID 155384857
5-Cyclopropyl-1-methyl-1-(3-phenylpropyl)furo[3,4-c]pyridine-3,4-dione
CID 155384860
1-Benzyl-5-cyclopropyl-1-methylfuro[3,4-c]pyridine-3,4-dione
CID 155384864
5-Cyclopropyl-1-methyl-1-(4-phenylbutyl)furo[3,4-c]pyridine-3,4-dione
CID 155384869
5-Cyclopropyl-1-methyl-1-(3-phenylbutyl)furo[3,4-c]pyridine-3,4-dione
CID 155384880

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide?
The IUPAC name of N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide (CID 155394894) is N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide.
What is the SMILES notation for N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide?
The canonical SMILES for N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide is CC1=C(/C=C\N(C=O)C2CC2)C(C)(CCCc2ccc(F)cc2)OC1=O.
What is the InChIKey of N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide?
The InChIKey is QLGSKYVYUKMQRV-QBFSEMIESA-N. The full InChI is InChI=1S/C21H24FNO3/c1-15-19(11-13-23(14-24)18-9-10-18)21(2,26-20(15)25)12-3-4-16-5-7-17(22)8-6-16/h5-8,11,13-14,18H,3-4,9-10,12H2,1-2H3/b13-11-.
What are the key properties of N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide?
N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide has a molecular weight of 357.43 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide is sourced from PubChem (CID 155394894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).