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

C14H15F2NO — CID 11779944

IUPAC(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)/C=C1\CCc2c(F)cc(F)cc21
InChIInChI=1S/C14H15F2NO/c1-3-17(2)14(18)6-9-4-5-11-12(9)7-10(15)8-13(11)16/h6-8H,3-5H2,1-2H3/b9-6+
InChIKeyGXSNQQSLEOUVRZ-RMKNXTFCSA-N
MW251.28 g/mol
LogP2.77
Rot. Bonds2

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

(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide (PubChem CID 11779944) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide
PubChem CID11779944
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)/C=C1\CCc2c(F)cc(F)cc21
InChIInChI=1S/C14H15F2NO/c1-3-17(2)14(18)6-9-4-5-11-12(9)7-10(15)8-13(11)16/h6-8H,3-5H2,1-2H3/b9-6+
InChIKeyGXSNQQSLEOUVRZ-RMKNXTFCSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
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-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 10857351
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide
CID 11020910
(2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 23293667
(2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 11747017
(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride
CID 11107593
2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 54433893
(2Z)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N,N-dimethylacetamide
CID 70261136
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea
CID 81310656
N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65101704
(2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium
CID 158024680

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide?
The IUPAC name of (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide (CID 11779944) is (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide.
What is the SMILES notation for (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide?
The canonical SMILES for (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide is CCN(C)C(=O)/C=C1\CCc2c(F)cc(F)cc21.
What is the InChIKey of (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide?
The InChIKey is GXSNQQSLEOUVRZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-3-17(2)14(18)6-9-4-5-11-12(9)7-10(15)8-13(11)16/h6-8H,3-5H2,1-2H3/b9-6+.
What are the key properties of (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide?
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide has a molecular weight of 251.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 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-ethyl-N-methylacetamide is sourced from PubChem (CID 11779944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).