N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide

C14H18Cl2N2O3 — CID 111490812

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

About N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide

N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide (PubChem CID 111490812) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
PubChem CID111490812
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC NameN'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
SMILESCC(C)C(O)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-8(2)12(19)3-4-17-13(20)14(21)18-11-6-9(15)5-10(16)7-11/h5-8,12,19H,3-4H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyRPHGTBMNNOHIKL-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'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide
CID 4167970
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide
CID 111461297
N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490767
N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
CID 111798695
N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530034
N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide
CID 111490774
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490783
N'-(3-chloro-4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
CID 90523603
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
N-[4-(3,5-dichlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882625

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide?
The IUPAC name of N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide (CID 111490812) is N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide is CC(C)C(O)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide?
The InChIKey is RPHGTBMNNOHIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-8(2)12(19)3-4-17-13(20)14(21)18-11-6-9(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-(3-hydroxy-4-methylpentyl)oxamide?
N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)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-(3-hydroxy-4-methylpentyl)oxamide is sourced from PubChem (CID 111490812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).