3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide

C24H30F2N2O2 — CID 119032646

IUPAC3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide
SMILESCC(Cc1cccc(F)c1)C(=O)NCC(C)N(C)C(=O)C(C)Cc1cccc(F)c1
InChIInChI=1S/C24H30F2N2O2/c1-16(11-19-7-5-9-21(25)13-19)23(29)27-15-18(3)28(4)24(30)17(2)12-20-8-6-10-22(26)14-20/h5-10,13-14,16-18H,11-12,15H2,1-4H3,(H,27,29)
InChIKeyMFRDBWRXVUABJC-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.99
Rot. Bonds9

About 3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide

3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide (PubChem CID 119032646) has the molecular formula C24H30F2N2O2 and a molecular weight of 416.51 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide
PubChem CID119032646
Molecular FormulaC24H30F2N2O2
Molecular Weight416.51 g/mol
Exact Mass416.23
IUPAC Name3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide
SMILESCC(Cc1cccc(F)c1)C(=O)NCC(C)N(C)C(=O)C(C)Cc1cccc(F)c1
InChIInChI=1S/C24H30F2N2O2/c1-16(11-19-7-5-9-21(25)13-19)23(29)27-15-18(3)28(4)24(30)17(2)12-20-8-6-10-22(26)14-20/h5-10,13-14,16-18H,11-12,15H2,1-4H3,(H,27,29)
InChIKeyMFRDBWRXVUABJC-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide (CID 119032646) is 3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide is CC(Cc1cccc(F)c1)C(=O)NCC(C)N(C)C(=O)C(C)Cc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide?
The InChIKey is MFRDBWRXVUABJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2O2/c1-16(11-19-7-5-9-21(25)13-19)23(29)27-15-18(3)28(4)24(30)17(2)12-20-8-6-10-22(26)14-20/h5-10,13-14,16-18H,11-12,15H2,1-4H3,(H,27,29).
What are the key properties of 3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide?
3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide has a molecular weight of 416.51 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[2-[[3-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]propyl]-2-methylpropanamide is sourced from PubChem (CID 119032646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).