N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide

C14H18F2N2O3 — CID 111121478

IUPACN'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
SMILESCCC(C)C(O)CNC(=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O3/c1-3-8(2)12(19)7-17-13(20)14(21)18-11-5-4-9(15)6-10(11)16/h4-6,8,12,19H,3,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQZBUBJRKKMCOCV-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.43
Rot. Bonds5

About N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide

N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide (PubChem CID 111121478) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
PubChem CID111121478
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC NameN'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
SMILESCCC(C)C(O)CNC(=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O3/c1-3-8(2)12(19)7-17-13(20)14(21)18-11-5-4-9(15)6-10(11)16/h4-6,8,12,19H,3,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQZBUBJRKKMCOCV-UHFFFAOYSA-N
XLogP1.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.43
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'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121500
N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121499
N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 111121495
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338565
N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide
CID 95351012
N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541482
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456252
N-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546289
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate
CID 103878987
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide (CID 111121478) is N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide is CCC(C)C(O)CNC(=O)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide?
The InChIKey is QZBUBJRKKMCOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-3-8(2)12(19)7-17-13(20)14(21)18-11-5-4-9(15)6-10(11)16/h4-6,8,12,19H,3,7H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide?
N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide has a molecular weight of 300.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide is sourced from PubChem (CID 111121478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).