(2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide

C15H18FNO — CID 23293611

IUPAC(2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide
SMILESCCN(C)C(=O)/C=C1\CCCc2ccc(F)cc21
InChIInChI=1S/C15H18FNO/c1-3-17(2)15(18)9-12-6-4-5-11-7-8-13(16)10-14(11)12/h7-10H,3-6H2,1-2H3/b12-9+
InChIKeyLRSKDNZCFNVBCF-FMIVXFBMSA-N
MW247.31 g/mol
LogP3.02
Rot. Bonds2

About (2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide

(2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide (PubChem CID 23293611) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is (2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide.

Molecular Properties

Compound Name(2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide
PubChem CID23293611
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name(2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide
SMILESCCN(C)C(=O)/C=C1\CCCc2ccc(F)cc21
InChIInChI=1S/C15H18FNO/c1-3-17(2)15(18)9-12-6-4-5-11-7-8-13(16)10-14(11)12/h7-10H,3-6H2,1-2H3/b12-9+
InChIKeyLRSKDNZCFNVBCF-FMIVXFBMSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide?
The IUPAC name of (2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide (CID 23293611) is (2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide.
What is the SMILES notation for (2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide?
The canonical SMILES for (2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide is CCN(C)C(=O)/C=C1\CCCc2ccc(F)cc21.
What is the InChIKey of (2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide?
The InChIKey is LRSKDNZCFNVBCF-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H18FNO/c1-3-17(2)15(18)9-12-6-4-5-11-7-8-13(16)10-14(11)12/h7-10H,3-6H2,1-2H3/b12-9+.
What are the key properties of (2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide?
(2E)-N-ethyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide has a molecular weight of 247.31 g/mol, XLogP of 3.02, 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-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-methylacetamide is sourced from PubChem (CID 23293611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).