2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide

C16H20FNO — CID 54315459

IUPAC2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide
SMILESCC(C)C1CC(=CC(=O)N(C)C)c2cc(F)ccc21
InChIInChI=1S/C16H20FNO/c1-10(2)14-7-11(8-16(19)18(3)4)15-9-12(17)5-6-13(14)15/h5-6,8-10,14H,7H2,1-4H3
InChIKeySNVLYYCMVHUVAT-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.44
Rot. Bonds2

About 2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide

2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide (PubChem CID 54315459) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide
PubChem CID54315459
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide
SMILESCC(C)C1CC(=CC(=O)N(C)C)c2cc(F)ccc21
InChIInChI=1S/C16H20FNO/c1-10(2)14-7-11(8-16(19)18(3)4)15-9-12(17)5-6-13(14)15/h5-6,8-10,14H,7H2,1-4H3
InChIKeySNVLYYCMVHUVAT-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N,N-dimethylacetamide
CID 70261136
(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 10857351
6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 114672243
2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide
CID 67741184
2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide
CID 54222366
2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 126784599
(1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid
CID 55265005
2-cyclopropyl-5-fluorobenzoic acid
CID 62490498
(2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 68878588
6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114671977
N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110289048
(4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 32896131

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide?
The IUPAC name of 2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide (CID 54315459) is 2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide?
The canonical SMILES for 2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide is CC(C)C1CC(=CC(=O)N(C)C)c2cc(F)ccc21.
What is the InChIKey of 2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide?
The InChIKey is SNVLYYCMVHUVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-10(2)14-7-11(8-16(19)18(3)4)15-9-12(17)5-6-13(14)15/h5-6,8-10,14H,7H2,1-4H3.
What are the key properties of 2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide?
2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide has a molecular weight of 261.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-propan-2-yl-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide is sourced from PubChem (CID 54315459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).