2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide

C13H14FNO — CID 54433893

IUPAC2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide
SMILESCNC(=O)C=C1CCc2c(C)cc(F)cc21
InChIInChI=1S/C13H14FNO/c1-8-5-10(14)7-12-9(3-4-11(8)12)6-13(16)15-2/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyWJJUKHNARJXTLH-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.21
Rot. Bonds1

About 2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide

2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide (PubChem CID 54433893) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide
PubChem CID54433893
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide
SMILESCNC(=O)C=C1CCc2c(C)cc(F)cc21
InChIInChI=1S/C13H14FNO/c1-8-5-10(14)7-12-9(3-4-11(8)12)6-13(16)15-2/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyWJJUKHNARJXTLH-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide
CID 11020910
(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride
CID 11107593
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide
CID 11779944
(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10977718
5-fluoro-N,2,3-trimethylbenzamide
CID 148716978
2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one
CID 4851352
(2E)-2-[2-[[(E)-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
CID 170087806
ethyl 2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetate
CID 66997837
N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide
CID 17391600
(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 10857351
N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 143267957
(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide
CID 144683992

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide?
The IUPAC name of 2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide (CID 54433893) is 2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide.
What is the SMILES notation for 2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide?
The canonical SMILES for 2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide is CNC(=O)C=C1CCc2c(C)cc(F)cc21.
What is the InChIKey of 2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide?
The InChIKey is WJJUKHNARJXTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-8-5-10(14)7-12-9(3-4-11(8)12)6-13(16)15-2/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide?
2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide has a molecular weight of 219.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide is sourced from PubChem (CID 54433893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).