5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide

C10H15FN2O — CID 175967581

IUPAC5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide
SMILESCCC1=CC=CC(C(N)=O)C1(F)NC
InChIInChI=1S/C10H15FN2O/c1-3-7-5-4-6-8(9(12)14)10(7,11)13-2/h4-6,8,13H,3H2,1-2H3,(H2,12,14)
InChIKeyRVYDEPVZMBOIBK-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.88
Rot. Bonds3

About 5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide

5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 175967581) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide
PubChem CID175967581
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide
SMILESCCC1=CC=CC(C(N)=O)C1(F)NC
InChIInChI=1S/C10H15FN2O/c1-3-7-5-4-6-8(9(12)14)10(7,11)13-2/h4-6,8,13H,3H2,1-2H3,(H2,12,14)
InChIKeyRVYDEPVZMBOIBK-UHFFFAOYSA-N
XLogP0.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide (CID 175967581) is 5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide is CCC1=CC=CC(C(N)=O)C1(F)NC.
What is the InChIKey of 5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is RVYDEPVZMBOIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-3-7-5-4-6-8(9(12)14)10(7,11)13-2/h4-6,8,13H,3H2,1-2H3,(H2,12,14).
What are the key properties of 5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide?
5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 198.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-fluoro-6-(methylamino)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 175967581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).