N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide

C15H20Cl2N2O3 — CID 111490749

IUPACN'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
SMILESCC(O)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O3/c1-9(20)7-15(2,3)8-18-13(21)14(22)19-12-5-4-10(16)6-11(12)17/h4-6,9,20H,7-8H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyNAUHPGSYEYHHPK-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.85
Rot. Bonds5

About N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide

N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide (PubChem CID 111490749) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
PubChem CID111490749
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC NameN'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
SMILESCC(O)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O3/c1-9(20)7-15(2,3)8-18-13(21)14(22)19-12-5-4-10(16)6-11(12)17/h4-6,9,20H,7-8H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyNAUHPGSYEYHHPK-UHFFFAOYSA-N
XLogP2.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.85
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'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490740
N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 111490720
N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490702
1-(5-chloro-2-methylsulfanylphenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111474307
N'-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)oxamide
CID 78843041
N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
CID 108502714
N'-(4-amino-2-chlorophenyl)-N-(2-hydroxypropyl)oxamide
CID 108516000
N-(4-hydroxy-2,2-dimethylpentyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 111490713
N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798057
N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide
CID 96530978
1-(5-bromo-2-fluorophenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111474799
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The IUPAC name of N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide (CID 111490749) is N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide.
What is the SMILES notation for N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The canonical SMILES for N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide is CC(O)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The InChIKey is NAUHPGSYEYHHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-9(20)7-15(2,3)8-18-13(21)14(22)19-12-5-4-10(16)6-11(12)17/h4-6,9,20H,7-8H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide has a molecular weight of 347.24 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide is sourced from PubChem (CID 111490749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).