N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide

C17H25FN2O3 — CID 111439190

IUPACN'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide
SMILESCCCC(O)(CCC)CNC(=O)C(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C17H25FN2O3/c1-4-8-17(23,9-5-2)11-19-15(21)16(22)20-14-7-6-12(3)10-13(14)18/h6-7,10,23H,4-5,8-9,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyZJJWUCZOAVBFAB-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.52
Rot. Bonds7

About N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide

N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide (PubChem CID 111439190) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide.

Molecular Properties

Compound NameN'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide
PubChem CID111439190
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide
SMILESCCCC(O)(CCC)CNC(=O)C(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C17H25FN2O3/c1-4-8-17(23,9-5-2)11-19-15(21)16(22)20-14-7-6-12(3)10-13(14)18/h6-7,10,23H,4-5,8-9,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyZJJWUCZOAVBFAB-UHFFFAOYSA-N
XLogP2.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.52
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-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 48894696
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491170
N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894796
N'-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337534
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456252
N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894697
2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide
CID 114038112
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566922
4-[(2-fluoro-4-methylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002794
3-(2-fluoro-4-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643855

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide?
The IUPAC name of N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide (CID 111439190) is N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide.
What is the SMILES notation for N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide?
The canonical SMILES for N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide is CCCC(O)(CCC)CNC(=O)C(=O)Nc1ccc(C)cc1F.
What is the InChIKey of N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide?
The InChIKey is ZJJWUCZOAVBFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-4-8-17(23,9-5-2)11-19-15(21)16(22)20-14-7-6-12(3)10-13(14)18/h6-7,10,23H,4-5,8-9,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide?
N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide has a molecular weight of 324.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide is sourced from PubChem (CID 111439190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).