2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide

C21H18F3NO2 — CID 10833140

IUPAC2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide
SMILESCCC1=C(CC(N)=O)c2c(O)cccc2/C1=C\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3NO2/c1-2-14-16(10-12-5-3-6-13(9-12)21(22,23)24)15-7-4-8-18(26)20(15)17(14)11-19(25)27/h3-10,26H,2,11H2,1H3,(H2,25,27)/b16-10-
InChIKeyCDHVZIOSYXMLMW-YBEGLDIGSA-N
MW373.37 g/mol
LogP5.00
Rot. Bonds4

About 2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide

2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide (PubChem CID 10833140) has the molecular formula C21H18F3NO2 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide
PubChem CID10833140
Molecular FormulaC21H18F3NO2
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide
SMILESCCC1=C(CC(N)=O)c2c(O)cccc2/C1=C\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3NO2/c1-2-14-16(10-12-5-3-6-13(9-12)21(22,23)24)15-7-4-8-18(26)20(15)17(14)11-19(25)27/h3-10,26H,2,11H2,1H3,(H2,25,27)/b16-10-
InChIKeyCDHVZIOSYXMLMW-YBEGLDIGSA-N
XLogP5.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.37
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide?
The IUPAC name of 2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide (CID 10833140) is 2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide.
What is the SMILES notation for 2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide?
The canonical SMILES for 2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide is CCC1=C(CC(N)=O)c2c(O)cccc2/C1=C\c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide?
The InChIKey is CDHVZIOSYXMLMW-YBEGLDIGSA-N. The full InChI is InChI=1S/C21H18F3NO2/c1-2-14-16(10-12-5-3-6-13(9-12)21(22,23)24)15-7-4-8-18(26)20(15)17(14)11-19(25)27/h3-10,26H,2,11H2,1H3,(H2,25,27)/b16-10-.
What are the key properties of 2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide?
2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide has a molecular weight of 373.37 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide is sourced from PubChem (CID 10833140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).