N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide

C25H25F2NO2 — CID 22261775

IUPACN-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC(Cc1ccc(F)cc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C25H25F2NO2/c26-21-13-9-19(10-14-21)17-23(25(30)20-11-15-22(27)16-12-20)28-24(29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,23,25,30H,4,7-8,17H2,(H,28,29)
InChIKeyCZVIOFMYRZXCJZ-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.75
Rot. Bonds9

About N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide

N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide (PubChem CID 22261775) has the molecular formula C25H25F2NO2 and a molecular weight of 409.48 g/mol. Its IUPAC name is N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide
PubChem CID22261775
Molecular FormulaC25H25F2NO2
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC NameN-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC(Cc1ccc(F)cc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C25H25F2NO2/c26-21-13-9-19(10-14-21)17-23(25(30)20-11-15-22(27)16-12-20)28-24(29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,23,25,30H,4,7-8,17H2,(H,28,29)
InChIKeyCZVIOFMYRZXCJZ-UHFFFAOYSA-N
XLogP4.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-1-hydroxy-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-phenylbutanamide
CID 22261523
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
2-[4-(4-fluorophenyl)butanoylamino]butanedioic acid
CID 82224351
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide
CID 57425638
1-(4-fluorophenyl)-5-phenylpentan-2-one
CID 61079516
2-[4-[[(1R,2R)-1-carboxy-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutyl]benzoic acid
CID 71073718
6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one
CID 24881683
(2S)-2-[3-(4-fluorophenyl)propanoylamino]-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)butanamide
CID 87133874
N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide
CID 22261718

Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide?
The IUPAC name of N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide (CID 22261775) is N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide?
The canonical SMILES for N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NC(Cc1ccc(F)cc1)C(O)c1ccc(F)cc1.
What is the InChIKey of N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide?
The InChIKey is CZVIOFMYRZXCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2NO2/c26-21-13-9-19(10-14-21)17-23(25(30)20-11-15-22(27)16-12-20)28-24(29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,23,25,30H,4,7-8,17H2,(H,28,29).
What are the key properties of N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide?
N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide has a molecular weight of 409.48 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide is sourced from PubChem (CID 22261775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).