N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide

C14H18Cl2N2O3 — CID 111798695

IUPACN-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
SMILESCC(C)C(CCO)NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-8(2)12(3-4-19)18-14(21)13(20)17-11-6-9(15)5-10(16)7-11/h5-8,12,19H,3-4H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBNCRUMIFOPPPEF-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.46
Rot. Bonds5

About N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide

N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide (PubChem CID 111798695) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
PubChem CID111798695
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC NameN-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
SMILESCC(C)C(CCO)NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-8(2)12(3-4-19)18-14(21)13(20)17-11-6-9(15)5-10(16)7-11/h5-8,12,19H,3-4H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBNCRUMIFOPPPEF-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'}

Analyze N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
CID 111798745
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide
CID 4167970
N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490812
N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide
CID 111798693
1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 103910043
N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide
CID 43906812
1-(3,5-dichlorophenyl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111452609
2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750934
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide
CID 4862754
4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide
CID 114177451

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide (CID 111798695) is N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide is CC(C)C(CCO)NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide?
The InChIKey is BNCRUMIFOPPPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-8(2)12(3-4-19)18-14(21)13(20)17-11-6-9(15)5-10(16)7-11/h5-8,12,19H,3-4H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide?
N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-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-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide is sourced from PubChem (CID 111798695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).