N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide

C14H15FN2O3 — CID 106893814

IUPACN-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide
SMILESCCN(C)C(=O)CN1C(=O)C(=O)c2cc(F)cc(C)c21
InChIInChI=1S/C14H15FN2O3/c1-4-16(3)11(18)7-17-12-8(2)5-9(15)6-10(12)13(19)14(17)20/h5-6H,4,7H2,1-3H3
InChIKeyVNFFDKKGCFOVAP-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.14
Rot. Bonds3

About N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide

N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide (PubChem CID 106893814) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide
PubChem CID106893814
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC NameN-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide
SMILESCCN(C)C(=O)CN1C(=O)C(=O)c2cc(F)cc(C)c21
InChIInChI=1S/C14H15FN2O3/c1-4-16(3)11(18)7-17-12-8(2)5-9(15)6-10(12)13(19)14(17)20/h5-6H,4,7H2,1-3H3
InChIKeyVNFFDKKGCFOVAP-UHFFFAOYSA-N
XLogP1.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
CID 61355939
2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
CID 61356667
5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione
CID 106893656
N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide
CID 106893739
1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione
CID 106893506
5-fluoro-7-methyl-1-prop-2-ynylindole-2,3-dione
CID 106893797
1-[(E)-but-2-enyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893650
5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 106893809
5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione
CID 106893652
2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 61357078
1-(3-bromo-2-methylpropyl)-5-fluoro-7-methylindole-2,3-dione
CID 106893513
5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione
CID 106893563

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide?
The IUPAC name of N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide (CID 106893814) is N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide?
The canonical SMILES for N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide is CCN(C)C(=O)CN1C(=O)C(=O)c2cc(F)cc(C)c21.
What is the InChIKey of N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide?
The InChIKey is VNFFDKKGCFOVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-4-16(3)11(18)7-17-12-8(2)5-9(15)6-10(12)13(19)14(17)20/h5-6H,4,7H2,1-3H3.
What are the key properties of N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide?
N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide has a molecular weight of 278.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide is sourced from PubChem (CID 106893814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).