N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide

C14H18Cl2N2O3 — CID 111798057

IUPACN-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
SMILESCC(C)CC(CO)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-8(2)5-10(7-19)17-13(20)14(21)18-12-4-3-9(15)6-11(12)16/h3-4,6,8,10,19H,5,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyMZELMLXLGMTXNJ-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.46
Rot. Bonds5

About N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide

N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide (PubChem CID 111798057) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
PubChem CID111798057
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC NameN-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
SMILESCC(C)CC(CO)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-8(2)5-10(7-19)17-13(20)14(21)18-12-4-3-9(15)6-11(12)16/h3-4,6,8,10,19H,5,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyMZELMLXLGMTXNJ-UHFFFAOYSA-N
XLogP2.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.46
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-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108502845
N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
CID 108502714
N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 45000896
N'-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)oxamide
CID 78843041
N-(2,4-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108502742
N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798073
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide
CID 108502956
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512
N-(2,4-dichlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108502902
N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490749

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide (CID 111798057) is N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide is CC(C)CC(CO)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?
The InChIKey is MZELMLXLGMTXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-8(2)5-10(7-19)17-13(20)14(21)18-12-4-3-9(15)6-11(12)16/h3-4,6,8,10,19H,5,7H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?
N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide has a molecular weight of 333.22 g/mol, XLogP of 2.46, 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'-(1-hydroxy-4-methylpentan-2-yl)oxamide is sourced from PubChem (CID 111798057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).