N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide

C14H18F2N2O3 — CID 111798025

IUPACN-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
SMILESCC(C)CC(CO)NC(=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O3/c1-8(2)5-10(7-19)17-13(20)14(21)18-12-4-3-9(15)6-11(12)16/h3-4,6,8,10,19H,5,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBBWLVQOPIRZPKF-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.43
Rot. Bonds5

About N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide

N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide (PubChem CID 111798025) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
PubChem CID111798025
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC NameN-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
SMILESCC(C)CC(CO)NC(=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O3/c1-8(2)5-10(7-19)17-13(20)14(21)18-12-4-3-9(15)6-11(12)16/h3-4,6,8,10,19H,5,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBBWLVQOPIRZPKF-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-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798057
N-(2-bromo-4-fluorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224762
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
1-(2-cyano-4-fluorophenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111926800
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989
N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide
CID 86831524
N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798073
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424921
N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108502845

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?
The IUPAC name of N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide (CID 111798025) is N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide is CC(C)CC(CO)NC(=O)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?
The InChIKey is BBWLVQOPIRZPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-8(2)5-10(7-19)17-13(20)14(21)18-12-4-3-9(15)6-11(12)16/h3-4,6,8,10,19H,5,7H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?
N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)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'-(1-hydroxy-4-methylpentan-2-yl)oxamide is sourced from PubChem (CID 111798025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).