N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide

C18H18FNO3 — CID 97331214

IUPACN-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide
SMILESC[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C18H18FNO3/c1-12(10-17(22)14-4-6-15(19)7-5-14)20-18(23)11-13-2-8-16(21)9-3-13/h2-9,12,21H,10-11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyXPWPHDFGYARZQO-LBPRGKRZSA-N
MW315.34 g/mol
LogP2.85
Rot. Bonds6

About N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide

N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 97331214) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide
PubChem CID97331214
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC NameN-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide
SMILESC[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C18H18FNO3/c1-12(10-17(22)14-4-6-15(19)7-5-14)20-18(23)11-13-2-8-16(21)9-3-13/h2-9,12,21H,10-11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyXPWPHDFGYARZQO-LBPRGKRZSA-N
XLogP2.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 55033721
N-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 61120670
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
N-[3-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxopropyl]acetamide
CID 44561095
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide
CID 97331218
2-(4-fluorophenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135472799
N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiadiazole-4-carboxamide
CID 75437795
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
methyl 2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 108807043

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide (CID 97331214) is N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide is C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)Cc1ccc(O)cc1.
What is the InChIKey of N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is XPWPHDFGYARZQO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-12(10-17(22)14-4-6-15(19)7-5-14)20-18(23)11-13-2-8-16(21)9-3-13/h2-9,12,21H,10-11H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide?
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 315.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 97331214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).