N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide

C14H15FN2O3 — CID 61485458

IUPACN-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C14H15FN2O3/c1-2-3-6-16-12(18)8-17-11-7-9(15)4-5-10(11)13(19)14(17)20/h4-5,7H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyIRWFAJBUOCBBSA-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.27
Rot. Bonds5

About N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide

N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide (PubChem CID 61485458) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide
PubChem CID61485458
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC NameN-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C14H15FN2O3/c1-2-3-6-16-12(18)8-17-11-7-9(15)4-5-10(11)13(19)14(17)20/h4-5,7H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyIRWFAJBUOCBBSA-UHFFFAOYSA-N
XLogP1.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide (CID 61485458) is N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide is CCCCNC(=O)CN1C(=O)C(=O)c2ccc(F)cc21.
What is the InChIKey of N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is IRWFAJBUOCBBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-2-3-6-16-12(18)8-17-11-7-9(15)4-5-10(11)13(19)14(17)20/h4-5,7H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide?
N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 278.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 61485458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).