N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide

C18H18FNO3 — CID 111115069

IUPACN-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC(C)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO3/c1-11-3-5-14(6-4-11)17(22)18(23)20-12(2)16(21)13-7-9-15(19)10-8-13/h3-10,12,16,21H,1-2H3,(H,20,23)
InChIKeyUEPGPKSZPRZFOJ-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.56
Rot. Bonds5

About N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide

N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 111115069) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID111115069
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC NameN-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC(C)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO3/c1-11-3-5-14(6-4-11)17(22)18(23)20-12(2)16(21)13-7-9-15(19)10-8-13/h3-10,12,16,21H,1-2H3,(H,20,23)
InChIKeyUEPGPKSZPRZFOJ-UHFFFAOYSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one
CID 12625681
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide
CID 75385860
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
1-(2,4-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116714
1-(4-acetylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111115072
1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82313108
2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide
CID 47121155
1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116785
N-[(1S,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 97237214
2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid
CID 170873795
N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
CID 34256707
tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate
CID 126713923

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide (CID 111115069) is N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)NC(C)C(O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is UEPGPKSZPRZFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-11-3-5-14(6-4-11)17(22)18(23)20-12(2)16(21)13-7-9-15(19)10-8-13/h3-10,12,16,21H,1-2H3,(H,20,23).
What are the key properties of N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide?
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 315.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 111115069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).