N-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide

C25H21F6NO2 — CID 11503947

IUPACN-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C25H21F6NO2/c26-24(27,28)23(34,25(29,30)31)20-12-14-21(15-13-20)32(17-19-9-5-2-6-10-19)22(33)16-11-18-7-3-1-4-8-18/h1-10,12-15,34H,11,16-17H2
InChIKeyNSUUXCAWMYCVCP-UHFFFAOYSA-N
MW481.44 g/mol
LogP6.16
Rot. Bonds7

About N-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide

N-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide (PubChem CID 11503947) has the molecular formula C25H21F6NO2 and a molecular weight of 481.44 g/mol. Its IUPAC name is N-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide
PubChem CID11503947
Molecular FormulaC25H21F6NO2
Molecular Weight481.44 g/mol
Exact Mass481.15
IUPAC NameN-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C25H21F6NO2/c26-24(27,28)23(34,25(29,30)31)20-12-14-21(15-13-20)32(17-19-9-5-2-6-10-19)22(33)16-11-18-7-3-1-4-8-18/h1-10,12-15,34H,11,16-17H2
InChIKeyNSUUXCAWMYCVCP-UHFFFAOYSA-N
XLogP6.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.44
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide (CID 11503947) is N-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)N(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide?
The InChIKey is NSUUXCAWMYCVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6NO2/c26-24(27,28)23(34,25(29,30)31)20-12-14-21(15-13-20)32(17-19-9-5-2-6-10-19)22(33)16-11-18-7-3-1-4-8-18/h1-10,12-15,34H,11,16-17H2.
What are the key properties of N-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide?
N-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide has a molecular weight of 481.44 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 11503947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).