N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide

C20H23FN2O3 — CID 90498673

IUPACN'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(C)(O)CCc2ccccc2)cc1F
InChIInChI=1S/C20H23FN2O3/c1-14-8-9-16(12-17(14)21)23-19(25)18(24)22-13-20(2,26)11-10-15-6-4-3-5-7-15/h3-9,12,26H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDCTHRFULIOZUFF-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.57
Rot. Bonds6

About N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide

N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide (PubChem CID 90498673) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
PubChem CID90498673
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(C)(O)CCc2ccccc2)cc1F
InChIInChI=1S/C20H23FN2O3/c1-14-8-9-16(12-17(14)21)23-19(25)18(24)22-13-20(2,26)11-10-15-6-4-3-5-7-15/h3-9,12,26H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDCTHRFULIOZUFF-UHFFFAOYSA-N
XLogP2.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.57
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'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498678
N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide
CID 90498651
N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498674
N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]oxamide
CID 95984495
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60617251
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498676
N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497618
N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498657
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea
CID 52907007
N-(3-fluoro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021266
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368093

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide (CID 90498673) is N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC(C)(O)CCc2ccccc2)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
The InChIKey is DCTHRFULIOZUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-14-8-9-16(12-17(14)21)23-19(25)18(24)22-13-20(2,26)11-10-15-6-4-3-5-7-15/h3-9,12,26H,10-11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide has a molecular weight of 358.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide is sourced from PubChem (CID 90498673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).