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

C24H25F6NO2 — CID 11525725

IUPACN-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C24H25F6NO2/c25-23(26,27)22(33,24(28,29)30)18-12-14-20(15-13-18)31(19-9-5-2-6-10-19)21(32)16-11-17-7-3-1-4-8-17/h1,3-4,7-8,12-15,19,33H,2,5-6,9-11,16H2
InChIKeyUVBRIVHIUGBGEN-UHFFFAOYSA-N
MW473.46 g/mol
LogP6.30
Rot. Bonds6

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

N-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide (PubChem CID 11525725) has the molecular formula C24H25F6NO2 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide
PubChem CID11525725
Molecular FormulaC24H25F6NO2
Molecular Weight473.46 g/mol
Exact Mass473.18
IUPAC NameN-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C24H25F6NO2/c25-23(26,27)22(33,24(28,29)30)18-12-14-20(15-13-18)31(19-9-5-2-6-10-19)21(32)16-11-17-7-3-1-4-8-17/h1,3-4,7-8,12-15,19,33H,2,5-6,9-11,16H2
InChIKeyUVBRIVHIUGBGEN-UHFFFAOYSA-N
XLogP6.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.46
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide (CID 11525725) is N-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)N(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide?
The InChIKey is UVBRIVHIUGBGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6NO2/c25-23(26,27)22(33,24(28,29)30)18-12-14-20(15-13-18)31(19-9-5-2-6-10-19)21(32)16-11-17-7-3-1-4-8-17/h1,3-4,7-8,12-15,19,33H,2,5-6,9-11,16H2.
What are the key properties of N-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide?
N-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide has a molecular weight of 473.46 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 11525725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).