N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide

C22H26F2N2O2 — CID 11976713

IUPACN-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H26F2N2O2/c1-16(26-12-14-28-15-13-26)22(27)25-11-10-21(17-2-6-19(23)7-3-17)18-4-8-20(24)9-5-18/h2-9,16,21H,10-15H2,1H3,(H,25,27)
InChIKeyFIYPDHGBXGYUKE-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.32
Rot. Bonds7

About N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide

N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide (PubChem CID 11976713) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide
PubChem CID11976713
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H26F2N2O2/c1-16(26-12-14-28-15-13-26)22(27)25-11-10-21(17-2-6-19(23)7-3-17)18-4-8-20(24)9-5-18/h2-9,16,21H,10-15H2,1H3,(H,25,27)
InChIKeyFIYPDHGBXGYUKE-UHFFFAOYSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide (CID 11976713) is N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide is CC(C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide?
The InChIKey is FIYPDHGBXGYUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-16(26-12-14-28-15-13-26)22(27)25-11-10-21(17-2-6-19(23)7-3-17)18-4-8-20(24)9-5-18/h2-9,16,21H,10-15H2,1H3,(H,25,27).
What are the key properties of N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide?
N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide has a molecular weight of 388.46 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 11976713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).