N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide

C14H18ClFN2O3 — CID 111490767

IUPACN'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
SMILESCC(C)C(O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H18ClFN2O3/c1-8(2)12(19)5-6-17-13(20)14(21)18-11-7-9(15)3-4-10(11)16/h3-4,7-8,12,19H,5-6H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyJWUSZEVFBHVTJB-UHFFFAOYSA-N
MW316.76 g/mol
LogP1.94
Rot. Bonds5

About N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide

N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide (PubChem CID 111490767) has the molecular formula C14H18ClFN2O3 and a molecular weight of 316.76 g/mol. Its IUPAC name is N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
PubChem CID111490767
Molecular FormulaC14H18ClFN2O3
Molecular Weight316.76 g/mol
Exact Mass316.10
IUPAC NameN'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
SMILESCC(C)C(O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H18ClFN2O3/c1-8(2)12(19)5-6-17-13(20)14(21)18-11-7-9(15)3-4-10(11)16/h3-4,7-8,12,19H,5-6H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyJWUSZEVFBHVTJB-UHFFFAOYSA-N
XLogP1.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 51.94
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'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490783
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
CID 111337517
N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490812
N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide
CID 111490774
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide
CID 111461297
N'-(3-chloro-4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
CID 90523603
N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
CID 44999477
1-(3-hydroxy-4-methylpentyl)-3-(2,3,4-trifluorophenyl)urea
CID 111472896
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide?
The IUPAC name of N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide (CID 111490767) is N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide is CC(C)C(O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide?
The InChIKey is JWUSZEVFBHVTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O3/c1-8(2)12(19)5-6-17-13(20)14(21)18-11-7-9(15)3-4-10(11)16/h3-4,7-8,12,19H,5-6H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide?
N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide has a molecular weight of 316.76 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide is sourced from PubChem (CID 111490767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).