(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide

C13H14FNO2 — CID 10922480

IUPAC(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide
SMILESO=C(/C=C1\CCc2ccc(F)cc21)NCCO
InChIInChI=1S/C13H14FNO2/c14-11-4-3-9-1-2-10(12(9)8-11)7-13(17)15-5-6-16/h3-4,7-8,16H,1-2,5-6H2,(H,15,17)/b10-7+
InChIKeyBHQSDMALXPYAIV-JXMROGBWSA-N
MW235.26 g/mol
LogP1.26
Rot. Bonds3

About (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide

(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide (PubChem CID 10922480) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide
PubChem CID10922480
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide
SMILESO=C(/C=C1\CCc2ccc(F)cc21)NCCO
InChIInChI=1S/C13H14FNO2/c14-11-4-3-9-1-2-10(12(9)8-11)7-13(17)15-5-6-16/h3-4,7-8,16H,1-2,5-6H2,(H,15,17)/b10-7+
InChIKeyBHQSDMALXPYAIV-JXMROGBWSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide (CID 10922480) is (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide is O=C(/C=C1\CCc2ccc(F)cc21)NCCO.
What is the InChIKey of (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide?
The InChIKey is BHQSDMALXPYAIV-JXMROGBWSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-11-4-3-9-1-2-10(12(9)8-11)7-13(17)15-5-6-16/h3-4,7-8,16H,1-2,5-6H2,(H,15,17)/b10-7+.
What are the key properties of (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide?
(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide has a molecular weight of 235.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 10922480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).