3-(4-fluorophenyl)oxirane-2,2-dicarboxamide

C10H9FN2O3 — CID 2849441

IUPAC3-(4-fluorophenyl)oxirane-2,2-dicarboxamide
SMILESNC(=O)C1(C(N)=O)OC1c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O3/c11-6-3-1-5(2-4-6)7-10(16-7,8(12)14)9(13)15/h1-4,7H,(H2,12,14)(H2,13,15)
InChIKeyMRXSQRZCQIWMTN-UHFFFAOYSA-N
MW224.19 g/mol
LogP-0.39
Rot. Bonds3

About 3-(4-fluorophenyl)oxirane-2,2-dicarboxamide

3-(4-fluorophenyl)oxirane-2,2-dicarboxamide (PubChem CID 2849441) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is 3-(4-fluorophenyl)oxirane-2,2-dicarboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)oxirane-2,2-dicarboxamide
PubChem CID2849441
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name3-(4-fluorophenyl)oxirane-2,2-dicarboxamide
SMILESNC(=O)C1(C(N)=O)OC1c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O3/c11-6-3-1-5(2-4-6)7-10(16-7,8(12)14)9(13)15/h1-4,7H,(H2,12,14)(H2,13,15)
InChIKeyMRXSQRZCQIWMTN-UHFFFAOYSA-N
XLogP-0.39
TPSA98.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-Dichlorophenyl)oxirane-2,2-dicarboxamide
CID 4369846
2,3-Diphenyloxirane-2-carboxamide
CID 3434340
3-Phenyloxirane-2,2-dicarboxamide
CID 4557691
3-Methyl-3-phenyloxirane-2-carboximidic acid
CID 32382
Oxiranecarboxamide, 3-phenyl-, (2R,3S)-rel-
CID 10931765
trans-3-[2-(Trifluoromethyl)phenyl]-2,3-epoxy-propionic acid amide
CID 132427165
N,N,3-trimethyl-3-phenyloxirane-2-carboxamide
CID 323044
(2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide
CID 55266156
2-[2-(2,4-Difluorophenyl)oxiran-2-yl]-2-fluoropropanamide
CID 19973080
2-[2-(2,4-Difluorophenyl)oxiran-2-yl]-2-fluoroacetamide
CID 19973093
2-Phenyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 68137814
(3R)-3-(cyanomethoxy)-2,2-difluoro-3-(2-fluorophenyl)butanamide
CID 68282487

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)oxirane-2,2-dicarboxamide?
The IUPAC name of 3-(4-fluorophenyl)oxirane-2,2-dicarboxamide (CID 2849441) is 3-(4-fluorophenyl)oxirane-2,2-dicarboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)oxirane-2,2-dicarboxamide?
The canonical SMILES for 3-(4-fluorophenyl)oxirane-2,2-dicarboxamide is NC(=O)C1(C(N)=O)OC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)oxirane-2,2-dicarboxamide?
The InChIKey is MRXSQRZCQIWMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c11-6-3-1-5(2-4-6)7-10(16-7,8(12)14)9(13)15/h1-4,7H,(H2,12,14)(H2,13,15).
What are the key properties of 3-(4-fluorophenyl)oxirane-2,2-dicarboxamide?
3-(4-fluorophenyl)oxirane-2,2-dicarboxamide has a molecular weight of 224.19 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)oxirane-2,2-dicarboxamide is sourced from PubChem (CID 2849441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).