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

C13H14FNO — CID 10998517

IUPAC(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESCCNC(=O)/C=C1\CCc2ccc(F)cc21
InChIInChI=1S/C13H14FNO/c1-2-15-13(16)7-10-4-3-9-5-6-11(14)8-12(9)10/h5-8H,2-4H2,1H3,(H,15,16)/b10-7+
InChIKeyGMLITQNTHVEDGC-JXMROGBWSA-N
MW219.26 g/mol
LogP2.29
Rot. Bonds2

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

(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 10998517) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID10998517
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESCCNC(=O)/C=C1\CCc2ccc(F)cc21
InChIInChI=1S/C13H14FNO/c1-2-15-13(16)7-10-4-3-9-5-6-11(14)8-12(9)10/h5-8H,2-4H2,1H3,(H,15,16)/b10-7+
InChIKeyGMLITQNTHVEDGC-JXMROGBWSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.29
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

2-(4,6-Difluoroindan-1-ylidene)-acetamide, (E)-
CID 10176672
(E)-N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-3-(4-fluorophenyl)prop-2-enamide
CID 122181329
2,2,2-Trifluoro-N-(2-indan-1-yl-ethyl)-acetamide
CID 11097218
Cinnamamide, N-allyl-alpha,beta-dimethyl-4-fluoro-, (E)-
CID 3033176
Cinnamamide, alpha,beta-dimethyl-4-fluoro-N-(2-propynyl)-, (E)-
CID 3033181
Cinnamamide, N-allyl-alpha,beta-dimethyl-4-fluoro-, (Z)-
CID 3033189
Cinnamamide, N-allyl-beta-methyl-, (E)-
CID 6435359
2,9-Dihydroindeno[2,1-c]pyridin-3-one
CID 44581823
(E)-2-(6-fluoro-1-indanylidene)acetamide
CID 9837001
(E)-N-cyclopropyl-3-(3-fluorophenyl)-2-butenamide
CID 10220070
(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 10857351
(2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide
CID 10868029

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide (CID 10998517) is (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide is CCNC(=O)/C=C1\CCc2ccc(F)cc21.
What is the InChIKey of (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is GMLITQNTHVEDGC-JXMROGBWSA-N. The full InChI is InChI=1S/C13H14FNO/c1-2-15-13(16)7-10-4-3-9-5-6-11(14)8-12(9)10/h5-8H,2-4H2,1H3,(H,15,16)/b10-7+.
What are the key properties of (2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 219.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 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)acetamide is sourced from PubChem (CID 10998517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).