N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide

C14H19ClN2O3 — CID 111491126

IUPACN'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
SMILESCC(C)(CCO)CNC(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c1-14(2,6-7-18)9-16-12(19)13(20)17-11-5-3-4-10(15)8-11/h3-5,8,18H,6-7,9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyAZFXVZLCMKNJIM-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.80
Rot. Bonds5

About N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide

N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide (PubChem CID 111491126) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
PubChem CID111491126
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
SMILESCC(C)(CCO)CNC(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c1-14(2,6-7-18)9-16-12(19)13(20)17-11-5-3-4-10(15)8-11/h3-5,8,18H,6-7,9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyAZFXVZLCMKNJIM-UHFFFAOYSA-N
XLogP1.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.80
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-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
CID 90501064
N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491144
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 4297035
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
2-[[2-(3-chloroanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 7292713
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600155
N'-(3-chlorophenyl)-N-prop-2-enyloxamide
CID 2058074
N'-(2-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491139
N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7292715
N'-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2184173
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 3358290

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide (CID 111491126) is N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide is CC(C)(CCO)CNC(=O)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
The InChIKey is AZFXVZLCMKNJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-14(2,6-7-18)9-16-12(19)13(20)17-11-5-3-4-10(15)8-11/h3-5,8,18H,6-7,9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide has a molecular weight of 298.77 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide is sourced from PubChem (CID 111491126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).