4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide

C23H28FNO3 — CID 110308987

IUPAC4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
SMILESCC(C)(C)c1ccc(C(=O)CCC(=O)NCC(C)(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H28FNO3/c1-22(2,3)17-7-5-16(6-8-17)20(26)13-14-21(27)25-15-23(4,28)18-9-11-19(24)12-10-18/h5-12,28H,13-15H2,1-4H3,(H,25,27)
InChIKeyGSFLUDOFODKOIQ-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.11
Rot. Bonds7

About 4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide

4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide (PubChem CID 110308987) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
PubChem CID110308987
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Name4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
SMILESCC(C)(C)c1ccc(C(=O)CCC(=O)NCC(C)(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H28FNO3/c1-22(2,3)17-7-5-16(6-8-17)20(26)13-14-21(27)25-15-23(4,28)18-9-11-19(24)12-10-18/h5-12,28H,13-15H2,1-4H3,(H,25,27)
InChIKeyGSFLUDOFODKOIQ-UHFFFAOYSA-N
XLogP4.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 71683994
4-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-oxobutanamide
CID 111452217
N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110303265
4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide
CID 110297944
4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide
CID 110297948
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
CID 110291633
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110630066
9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58536953
4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide
CID 9163716
ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate
CID 110291402

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide (CID 110308987) is 4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide is CC(C)(C)c1ccc(C(=O)CCC(=O)NCC(C)(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide?
The InChIKey is GSFLUDOFODKOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-22(2,3)17-7-5-16(6-8-17)20(26)13-14-21(27)25-15-23(4,28)18-9-11-19(24)12-10-18/h5-12,28H,13-15H2,1-4H3,(H,25,27).
What are the key properties of 4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide?
4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide has a molecular weight of 385.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide is sourced from PubChem (CID 110308987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).