4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid

C13H13F2NO4 — CID 154865208

IUPAC4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C13H13F2NO4/c14-8-1-2-10(9(15)7-8)16-11(17)13(12(18)19)3-5-20-6-4-13/h1-2,7H,3-6H2,(H,16,17)(H,18,19)
InChIKeyUOURWTSLDWYBBC-UHFFFAOYSA-N
MW285.25 g/mol
LogP1.78
Rot. Bonds3

About 4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid

4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid (PubChem CID 154865208) has the molecular formula C13H13F2NO4 and a molecular weight of 285.25 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid
PubChem CID154865208
Molecular FormulaC13H13F2NO4
Molecular Weight285.25 g/mol
Exact Mass285.08
IUPAC Name4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C13H13F2NO4/c14-8-1-2-10(9(15)7-8)16-11(17)13(12(18)19)3-5-20-6-4-13/h1-2,7H,3-6H2,(H,16,17)(H,18,19)
InChIKeyUOURWTSLDWYBBC-UHFFFAOYSA-N
XLogP1.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N'-(2,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093639
1-[(2-bromo-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095716
1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79766775
1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970362
1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 103552439
1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981437
N-(2-bromo-4-fluorophenyl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76919442
1-N-(2,4-difluorophenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980715
1-[(4-bromo-2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107615292
1-[[2-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 172618064
1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981020
N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 110863603

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid (CID 154865208) is 4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid is O=C(O)C1(C(=O)Nc2ccc(F)cc2F)CCOCC1.
What is the InChIKey of 4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid?
The InChIKey is UOURWTSLDWYBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO4/c14-8-1-2-10(9(15)7-8)16-11(17)13(12(18)19)3-5-20-6-4-13/h1-2,7H,3-6H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid?
4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid has a molecular weight of 285.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid is sourced from PubChem (CID 154865208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).