4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide

C18H17F2NO3 — CID 110899045

IUPAC4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C18H17F2NO3/c19-14-5-1-12(2-6-14)16(22)9-10-18(24)21-11-17(23)13-3-7-15(20)8-4-13/h1-8,17,23H,9-11H2,(H,21,24)
InChIKeyYEGSWPPQPMZBTK-UHFFFAOYSA-N
MW333.33 g/mol
LogP2.78
Rot. Bonds7

About 4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide

4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide (PubChem CID 110899045) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide
PubChem CID110899045
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Name4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C18H17F2NO3/c19-14-5-1-12(2-6-14)16(22)9-10-18(24)21-11-17(23)13-3-7-15(20)8-4-13/h1-8,17,23H,9-11H2,(H,21,24)
InChIKeyYEGSWPPQPMZBTK-UHFFFAOYSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 111451146
4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide
CID 111471521
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 110888816
3-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888869
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888819
3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 87016892
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 78866814
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623858
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide (CID 110899045) is 4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide?
The InChIKey is YEGSWPPQPMZBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3/c19-14-5-1-12(2-6-14)16(22)9-10-18(24)21-11-17(23)13-3-7-15(20)8-4-13/h1-8,17,23H,9-11H2,(H,21,24).
What are the key properties of 4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide?
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide has a molecular weight of 333.33 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide is sourced from PubChem (CID 110899045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).