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

C24H18F7NO2 — CID 130261871

IUPACN-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1
InChIInChI=1S/C24H18F7NO2/c25-20-14-17(22(34,23(26,27)28)24(29,30)31)9-12-19(20)16-7-10-18(11-8-16)32-21(33)13-6-15-4-2-1-3-5-15/h1-5,7-12,14,34H,6,13H2,(H,32,33)
InChIKeyGACHCUZXVHXXQE-UHFFFAOYSA-N
MW485.40 g/mol
LogP6.38
Rot. Bonds6

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

N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide (PubChem CID 130261871) has the molecular formula C24H18F7NO2 and a molecular weight of 485.40 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide
PubChem CID130261871
Molecular FormulaC24H18F7NO2
Molecular Weight485.40 g/mol
Exact Mass485.12
IUPAC NameN-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1
InChIInChI=1S/C24H18F7NO2/c25-20-14-17(22(34,23(26,27)28)24(29,30)31)9-12-19(20)16-7-10-18(11-8-16)32-21(33)13-6-15-4-2-1-3-5-15/h1-5,7-12,14,34H,6,13H2,(H,32,33)
InChIKeyGACHCUZXVHXXQE-UHFFFAOYSA-N
XLogP6.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.40
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)-4-(trifluoromethyl)benzamide
CID 17980288
MK2a Inhibitor
CID 11382492
2-(4-ethylsulfonylphenyl)-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]acetamide
CID 138105957
N-butyl-3-phenyl-N-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]propionamide
CID 10114592
2-Cyclopentyl-N-[2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-acetamide
CID 11742811
N-methyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]cyclohexanecarboxamide
CID 20704185
N-[2'-Fluoro-4'-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl][1,1'biphenyl]-4-yl]-2-nitrobenzeneacetamide
CID 130248006
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]heptanamide
CID 130261792
Methyl 5-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]-5-oxopentanoate
CID 130261825
Methyl 4-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]-4-oxobutanoate
CID 130263494
2-(2-aminophenyl)-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]acetamide
CID 141761791
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 141761792

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide (CID 130261871) is N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1.
What is the InChIKey of N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide?
The InChIKey is GACHCUZXVHXXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F7NO2/c25-20-14-17(22(34,23(26,27)28)24(29,30)31)9-12-19(20)16-7-10-18(11-8-16)32-21(33)13-6-15-4-2-1-3-5-15/h1-5,7-12,14,34H,6,13H2,(H,32,33).
What are the key properties of N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide?
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide has a molecular weight of 485.40 g/mol, XLogP of 6.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 130261871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).