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

C14H18ClFN2O3 — CID 111121499

IUPACN'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
SMILESCCC(C)C(O)CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFN2O3/c1-3-8(2)12(19)7-17-13(20)14(21)18-9-4-5-10(15)11(16)6-9/h4-6,8,12,19H,3,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyPUMZMXLWVMYKIS-UHFFFAOYSA-N
MW316.76 g/mol
LogP1.94
Rot. Bonds5

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

N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide (PubChem CID 111121499) has the molecular formula C14H18ClFN2O3 and a molecular weight of 316.76 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
PubChem CID111121499
Molecular FormulaC14H18ClFN2O3
Molecular Weight316.76 g/mol
Exact Mass316.10
IUPAC NameN'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
SMILESCCC(C)C(O)CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFN2O3/c1-3-8(2)12(19)7-17-13(20)14(21)18-9-4-5-10(15)11(16)6-9/h4-6,8,12,19H,3,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyPUMZMXLWVMYKIS-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

methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
N-(2-hydroxy-3-methylpentyl)-N'-[3-(2,2,2-trifluoroethyl)phenyl]oxamide
CID 111490500
N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798976
N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide
CID 95773561
N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide
CID 54955496
N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide
CID 46199765
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride
CID 119281097
N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121500
N'-(4-chloro-3-fluorophenyl)oxamide
CID 70886699
N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide
CID 46199606

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide (CID 111121499) is N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide is CCC(C)C(O)CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide?
The InChIKey is PUMZMXLWVMYKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O3/c1-3-8(2)12(19)7-17-13(20)14(21)18-9-4-5-10(15)11(16)6-9/h4-6,8,12,19H,3,7H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide?
N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-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'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide is sourced from PubChem (CID 111121499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).