(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide

C13H13F2NO — CID 11020910

IUPAC(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide
SMILESCCNC(=O)/C=C1\CCc2c(F)cc(F)cc21
InChIInChI=1S/C13H13F2NO/c1-2-16-13(17)5-8-3-4-10-11(8)6-9(14)7-12(10)15/h5-7H,2-4H2,1H3,(H,16,17)/b8-5+
InChIKeyLTKGPLMKKNACRX-VMPITWQZSA-N
MW237.25 g/mol
LogP2.43
Rot. Bonds2

About (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide

(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide (PubChem CID 11020910) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide.

Molecular Properties

Compound Name(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide
PubChem CID11020910
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide
SMILESCCNC(=O)/C=C1\CCc2c(F)cc(F)cc21
InChIInChI=1S/C13H13F2NO/c1-2-16-13(17)5-8-3-4-10-11(8)6-9(14)7-12(10)15/h5-7H,2-4H2,1H3,(H,16,17)/b8-5+
InChIKeyLTKGPLMKKNACRX-VMPITWQZSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.43
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)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 11747017
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide
CID 11779944
(2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 23293667
2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 54433893
(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride
CID 11107593
(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 10857351
(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10977718
3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
(E)-N,N'-diethylbut-2-enediamide
CID 22015135
(1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one
CID 116532637
N-(2-aminoethyl)-2-(7-fluoro-1-oxo-2,3,4,10-tetrahydroazepino[3,4-b]indol-5-ylidene)acetamide
CID 68638151

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide?
The IUPAC name of (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide (CID 11020910) is (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide.
What is the SMILES notation for (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide?
The canonical SMILES for (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide is CCNC(=O)/C=C1\CCc2c(F)cc(F)cc21.
What is the InChIKey of (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide?
The InChIKey is LTKGPLMKKNACRX-VMPITWQZSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-2-16-13(17)5-8-3-4-10-11(8)6-9(14)7-12(10)15/h5-7H,2-4H2,1H3,(H,16,17)/b8-5+.
What are the key properties of (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide?
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide has a molecular weight of 237.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide is sourced from PubChem (CID 11020910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).