[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone

C16H18FNO2 — CID 114725645

IUPAC[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESCN(C)C1(C(=O)c2cc3cccc(F)c3o2)CCCC1
InChIInChI=1S/C16H18FNO2/c1-18(2)16(8-3-4-9-16)15(19)13-10-11-6-5-7-12(17)14(11)20-13/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyVEGBHYPJSSYQCO-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.63
Rot. Bonds3

About [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone

[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 114725645) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone
PubChem CID114725645
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESCN(C)C1(C(=O)c2cc3cccc(F)c3o2)CCCC1
InChIInChI=1S/C16H18FNO2/c1-18(2)16(8-3-4-9-16)15(19)13-10-11-6-5-7-12(17)14(11)20-13/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyVEGBHYPJSSYQCO-UHFFFAOYSA-N
XLogP3.63
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone 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

[1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114725657
[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737168
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 114736767
(7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone
CID 114726210
(2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066034
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114736987
7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide
CID 111485827
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886
[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726886
(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736196

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone (CID 114725645) is [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone is CN(C)C1(C(=O)c2cc3cccc(F)c3o2)CCCC1.
What is the InChIKey of [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is VEGBHYPJSSYQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-18(2)16(8-3-4-9-16)15(19)13-10-11-6-5-7-12(17)14(11)20-13/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone?
[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 275.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114725645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).