2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide

C13H14FNO — CID 67741184

IUPAC2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide
SMILESCC(C(N)=O)=C1CC(C)c2ccc(F)cc21
InChIInChI=1S/C13H14FNO/c1-7-5-11(8(2)13(15)16)12-6-9(14)3-4-10(7)12/h3-4,6-7H,5H2,1-2H3,(H2,15,16)
InChIKeyQOBKIKPZKBPCJN-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.59
Rot. Bonds1

About 2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide

2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide (PubChem CID 67741184) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide.

Molecular Properties

Compound Name2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide
PubChem CID67741184
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide
SMILESCC(C(N)=O)=C1CC(C)c2ccc(F)cc21
InChIInChI=1S/C13H14FNO/c1-7-5-11(8(2)13(15)16)12-6-9(14)3-4-10(7)12/h3-4,6-7H,5H2,1-2H3,(H2,15,16)
InChIKeyQOBKIKPZKBPCJN-UHFFFAOYSA-N
XLogP2.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.59
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

(1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid
CID 55265005
8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291829
7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one
CID 142301736
(9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol
CID 23635452
5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
CID 134102072
4-(aminomethyl)-2-ethyl-7-fluoro-3,4-dihydroisoquinolin-1-one
CID 82127868
2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide
CID 54315459
6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one
CID 174821634
2-cyclopropyl-5-fluorobenzoic acid
CID 62490498
1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
CID 22482372
7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417620
(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417616

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide?
The IUPAC name of 2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide (CID 67741184) is 2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide.
What is the SMILES notation for 2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide?
The canonical SMILES for 2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide is CC(C(N)=O)=C1CC(C)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide?
The InChIKey is QOBKIKPZKBPCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-7-5-11(8(2)13(15)16)12-6-9(14)3-4-10(7)12/h3-4,6-7H,5H2,1-2H3,(H2,15,16).
What are the key properties of 2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide?
2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide has a molecular weight of 219.26 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide is sourced from PubChem (CID 67741184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).