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

C14H15FN2O3 — CID 106893739

IUPACN-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide
SMILESCCNC(=O)CCN1C(=O)C(=O)c2cc(F)cc(C)c21
InChIInChI=1S/C14H15FN2O3/c1-3-16-11(18)4-5-17-12-8(2)6-9(15)7-10(12)13(19)14(17)20/h6-7H,3-5H2,1-2H3,(H,16,18)
InChIKeyBPYPHSPRMHTMDY-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.19
Rot. Bonds4

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

N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide (PubChem CID 106893739) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide
PubChem CID106893739
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC NameN-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide
SMILESCCNC(=O)CCN1C(=O)C(=O)c2cc(F)cc(C)c21
InChIInChI=1S/C14H15FN2O3/c1-3-16-11(18)4-5-17-12-8(2)6-9(15)7-10(12)13(19)14(17)20/h6-7H,3-5H2,1-2H3,(H,16,18)
InChIKeyBPYPHSPRMHTMDY-UHFFFAOYSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 62325713
N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide
CID 62325539
5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione
CID 106893656
1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione
CID 106893506
3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 83215709
5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 106893809
N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide
CID 106893814
3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 62325001
1-[(E)-but-2-enyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893650
5-fluoro-7-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]indole-2,3-dione
CID 106893794
1-[2-(2-chloroethoxy)ethyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893493
5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione
CID 106893795

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide?
The IUPAC name of N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide (CID 106893739) is N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide?
The canonical SMILES for N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide is CCNC(=O)CCN1C(=O)C(=O)c2cc(F)cc(C)c21.
What is the InChIKey of N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide?
The InChIKey is BPYPHSPRMHTMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-3-16-11(18)4-5-17-12-8(2)6-9(15)7-10(12)13(19)14(17)20/h6-7H,3-5H2,1-2H3,(H,16,18).
What are the key properties of N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide?
N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide has a molecular weight of 278.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide is sourced from PubChem (CID 106893739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).