3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide

C21H20FNO2 — CID 4233600

IUPAC3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CC(c1ccc(F)cc1)c1ccco1)c1ccccc1
InChIInChI=1S/C21H20FNO2/c1-15(16-6-3-2-4-7-16)23-21(24)14-19(20-8-5-13-25-20)17-9-11-18(22)12-10-17/h2-13,15,19H,14H2,1H3,(H,23,24)
InChIKeyMMNJAEVCVXIQDG-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.82
Rot. Bonds6

About 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide

3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide (PubChem CID 4233600) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide
PubChem CID4233600
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CC(c1ccc(F)cc1)c1ccco1)c1ccccc1
InChIInChI=1S/C21H20FNO2/c1-15(16-6-3-2-4-7-16)23-21(24)14-19(20-8-5-13-25-20)17-9-11-18(22)12-10-17/h2-13,15,19H,14H2,1H3,(H,23,24)
InChIKeyMMNJAEVCVXIQDG-UHFFFAOYSA-N
XLogP4.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide (CID 4233600) is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide is CC(NC(=O)CC(c1ccc(F)cc1)c1ccco1)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is MMNJAEVCVXIQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c1-15(16-6-3-2-4-7-16)23-21(24)14-19(20-8-5-13-25-20)17-9-11-18(22)12-10-17/h2-13,15,19H,14H2,1H3,(H,23,24).
What are the key properties of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide?
3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 337.39 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 4233600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).