N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide

C19H21ClN2O3 — CID 90498674

IUPACN'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-19(25,12-11-14-5-3-2-4-6-14)13-21-17(23)18(24)22-16-9-7-15(20)8-10-16/h2-10,25H,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCBZWMCMHKRLNHR-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.78
Rot. Bonds6

About N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide

N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide (PubChem CID 90498674) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
PubChem CID90498674
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-19(25,12-11-14-5-3-2-4-6-14)13-21-17(23)18(24)22-16-9-7-15(20)8-10-16/h2-10,25H,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCBZWMCMHKRLNHR-UHFFFAOYSA-N
XLogP2.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.78
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-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide
CID 90498651
N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498678
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498676
N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498673
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
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
CID 90523165
N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498657
2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
CID 90498486
N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985809
2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498490
1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea
CID 113234927

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide (CID 90498674) is N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide is CC(O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
The InChIKey is CBZWMCMHKRLNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-19(25,12-11-14-5-3-2-4-6-14)13-21-17(23)18(24)22-16-9-7-15(20)8-10-16/h2-10,25H,11-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide has a molecular weight of 360.84 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide is sourced from PubChem (CID 90498674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).