3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide

C22H26FNO3 — CID 17234104

IUPAC3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide
SMILESCC1(C)OC(c2cccc(NC(=O)CCc3ccccc3F)c2)OC1(C)C
InChIInChI=1S/C22H26FNO3/c1-21(2)22(3,4)27-20(26-21)16-9-7-10-17(14-16)24-19(25)13-12-15-8-5-6-11-18(15)23/h5-11,14,20H,12-13H2,1-4H3,(H,24,25)
InChIKeyPNUIAGDBCUADPH-UHFFFAOYSA-N
MW371.45 g/mol
LogP5.00
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide

3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide (PubChem CID 17234104) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide
PubChem CID17234104
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide
SMILESCC1(C)OC(c2cccc(NC(=O)CCc3ccccc3F)c2)OC1(C)C
InChIInChI=1S/C22H26FNO3/c1-21(2)22(3,4)27-20(26-21)16-9-7-10-17(14-16)24-19(25)13-12-15-8-5-6-11-18(15)23/h5-11,14,20H,12-13H2,1-4H3,(H,24,25)
InChIKeyPNUIAGDBCUADPH-UHFFFAOYSA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide (CID 17234104) is 3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide is CC1(C)OC(c2cccc(NC(=O)CCc3ccccc3F)c2)OC1(C)C.
What is the InChIKey of 3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide?
The InChIKey is PNUIAGDBCUADPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-21(2)22(3,4)27-20(26-21)16-9-7-10-17(14-16)24-19(25)13-12-15-8-5-6-11-18(15)23/h5-11,14,20H,12-13H2,1-4H3,(H,24,25).
What are the key properties of 3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide?
3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide has a molecular weight of 371.45 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide is sourced from PubChem (CID 17234104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).