(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone

C18H14FNO2 — CID 58759498

IUPAC(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone
SMILESNc1c(C(=O)c2cccc(F)c2)oc2cc3c(cc12)CCC3
InChIInChI=1S/C18H14FNO2/c19-13-6-2-5-12(7-13)17(21)18-16(20)14-8-10-3-1-4-11(10)9-15(14)22-18/h2,5-9H,1,3-4,20H2
InChIKeyCEDFQXWPVPEHQS-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.87
Rot. Bonds2

About (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone

(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone (PubChem CID 58759498) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone
PubChem CID58759498
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone
SMILESNc1c(C(=O)c2cccc(F)c2)oc2cc3c(cc12)CCC3
InChIInChI=1S/C18H14FNO2/c19-13-6-2-5-12(7-13)17(21)18-16(20)14-8-10-3-1-4-11(10)9-15(14)22-18/h2,5-9H,1,3-4,20H2
InChIKeyCEDFQXWPVPEHQS-UHFFFAOYSA-N
XLogP3.87
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Amino-1-benzofuran-2-YL)(4-methoxyphenyl)methanone
CID 693230
(3-Amino-1-benzofuran-2-yl)(4-methylphenyl)methanone
CID 619566
(3-Amino-5-methoxy-benzofuran-2-yl)-phenyl-methanone
CID 698980
(3-Amino-1-benzofuran-2-yl)(4-fluorophenyl)methanone
CID 620323
1-(3-Amino-1-benzofuran-2-yl)ethanone
CID 654095
(3-Amino-1-benzofuran-2-yl)(phenyl)methanone
CID 854225
(3-Amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
CID 1088163
(3-Amino-5-methoxybenzofuran-2-yl)(4-fluorophenyl)methanone
CID 685511
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
CID 16013518
2-Cyclopropanecarbonyl-1-benzofuran-3-amine
CID 608478
(3-Amino-7-meo-1-benzofuran-2-YL)(2',4'-difluoro(1,1'-biphenyl)-4-YL)methanone
CID 10499923
Ethyl (4-((3-amino-1-benzofuran-2-YL)carbonyl)phenoxy)acetate
CID 10664799

Frequently Asked Questions

What is the IUPAC name of (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone (CID 58759498) is (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone is Nc1c(C(=O)c2cccc(F)c2)oc2cc3c(cc12)CCC3.
What is the InChIKey of (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone?
The InChIKey is CEDFQXWPVPEHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c19-13-6-2-5-12(7-13)17(21)18-16(20)14-8-10-3-1-4-11(10)9-15(14)22-18/h2,5-9H,1,3-4,20H2.
What are the key properties of (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone?
(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone has a molecular weight of 295.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 58759498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).