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

C14H16FNO — CID 10857351

IUPAC(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
SMILESCCN(C)C(=O)/C=C1\CCc2ccc(F)cc21
InChIInChI=1S/C14H16FNO/c1-3-16(2)14(17)8-11-5-4-10-6-7-12(15)9-13(10)11/h6-9H,3-5H2,1-2H3/b11-8+
InChIKeyXITGCIREDYBKBF-DHZHZOJOSA-N
MW233.29 g/mol
LogP2.63
Rot. Bonds2

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

(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide (PubChem CID 10857351) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide.

Molecular Properties

Compound Name(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
PubChem CID10857351
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
SMILESCCN(C)C(=O)/C=C1\CCc2ccc(F)cc21
InChIInChI=1S/C14H16FNO/c1-3-16(2)14(17)8-11-5-4-10-6-7-12(15)9-13(10)11/h6-9H,3-5H2,1-2H3/b11-8+
InChIKeyXITGCIREDYBKBF-DHZHZOJOSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.63
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)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide
CID 11779944
(2Z)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N,N-dimethylacetamide
CID 70261136
(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10977718
(1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one
CID 116532637
(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid
CID 23293571
(2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide
CID 19698804
(2Z)-N-cyclopropyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide
CID 23293620
2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide
CID 54411867
8-fluoro-1-methyl-4,5-dihydrobenzo[g]indazole-3-carboxylic acid
CID 139896956
5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine
CID 68964473
(2E)-2-(6-chloro-2,3-dihydroinden-1-ylidene)acetic acid
CID 82077740
2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide
CID 54315459

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide?
The IUPAC name of (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide (CID 10857351) is (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide.
What is the SMILES notation for (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide?
The canonical SMILES for (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide is CCN(C)C(=O)/C=C1\CCc2ccc(F)cc21.
What is the InChIKey of (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide?
The InChIKey is XITGCIREDYBKBF-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H16FNO/c1-3-16(2)14(17)8-11-5-4-10-6-7-12(15)9-13(10)11/h6-9H,3-5H2,1-2H3/b11-8+.
What are the key properties of (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide?
(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide has a molecular weight of 233.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide is sourced from PubChem (CID 10857351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).