N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide

C23H20F2N2O3 — CID 90497618

IUPACN'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20F2N2O3/c1-23(30,17-9-7-16(8-10-17)15-5-3-2-4-6-15)14-26-21(28)22(29)27-18-11-12-19(24)20(25)13-18/h2-13,30H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyFIOMOZITASOESY-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.59
Rot. Bonds5

About N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide

N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide (PubChem CID 90497618) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
PubChem CID90497618
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC NameN'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20F2N2O3/c1-23(30,17-9-7-16(8-10-17)15-5-3-2-4-6-15)14-26-21(28)22(29)27-18-11-12-19(24)20(25)13-18/h2-13,30H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyFIOMOZITASOESY-UHFFFAOYSA-N
XLogP3.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 71781848
N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497636
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368093
N'-(2-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497596
1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335572
N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498678
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 71781852
N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
CID 121112034
N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 90599351
N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide
CID 111435744
2,6-difluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzamide
CID 71781812

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide?
The IUPAC name of N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide (CID 90497618) is N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide is CC(O)(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide?
The InChIKey is FIOMOZITASOESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c1-23(30,17-9-7-16(8-10-17)15-5-3-2-4-6-15)14-26-21(28)22(29)27-18-11-12-19(24)20(25)13-18/h2-13,30H,14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide?
N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide has a molecular weight of 410.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide is sourced from PubChem (CID 90497618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).