N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide

C19H20F2N2O3 — CID 90498678

IUPACN'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O3/c1-19(26,10-9-13-5-3-2-4-6-13)12-22-17(24)18(25)23-14-7-8-15(20)16(21)11-14/h2-8,11,26H,9-10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyBHGLWOHRANVMQA-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.40
Rot. Bonds6

About N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide

N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide (PubChem CID 90498678) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
PubChem CID90498678
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC NameN'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O3/c1-19(26,10-9-13-5-3-2-4-6-13)12-22-17(24)18(25)23-14-7-8-15(20)16(21)11-14/h2-8,11,26H,9-10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyBHGLWOHRANVMQA-UHFFFAOYSA-N
XLogP2.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.40
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-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498673
N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498674
N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide
CID 90498651
N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497618
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498676
N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 90599351
N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]oxamide
CID 95984495
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368093
N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
CID 90523212
1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335572
2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943
2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498520

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
The IUPAC name of N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide (CID 90498678) is N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide is CC(O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
The InChIKey is BHGLWOHRANVMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-19(26,10-9-13-5-3-2-4-6-13)12-22-17(24)18(25)23-14-7-8-15(20)16(21)11-14/h2-8,11,26H,9-10,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide has a molecular weight of 362.38 g/mol, XLogP of 2.40, 6 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-methyl-4-phenylbutyl)oxamide is sourced from PubChem (CID 90498678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).