(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone

C19H16FNO2 — CID 58759571

IUPAC(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccccc2F)oc2cc3c(cc12)CCCC3
InChIInChI=1S/C19H16FNO2/c20-15-8-4-3-7-13(15)18(22)19-17(21)14-9-11-5-1-2-6-12(11)10-16(14)23-19/h3-4,7-10H,1-2,5-6,21H2
InChIKeyWJGCXDHNFSCLIP-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.26
Rot. Bonds2

About (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone

(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone (PubChem CID 58759571) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone
PubChem CID58759571
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccccc2F)oc2cc3c(cc12)CCCC3
InChIInChI=1S/C19H16FNO2/c20-15-8-4-3-7-13(15)18(22)19-17(21)14-9-11-5-1-2-6-12(11)10-16(14)23-19/h3-4,7-10H,1-2,5-6,21H2
InChIKeyWJGCXDHNFSCLIP-UHFFFAOYSA-N
XLogP4.26
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.26
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
(3-Amino-1-benzofuran-2-yl)(phenyl)methanone
CID 854225
N-{2-[(4-fluorophenyl)carbonyl]-1-benzofuran-3-yl}-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
CID 1867022
N-{2-[(4-fluorophenyl)carbonyl]-1-benzofuran-3-yl}-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
CID 3324908
N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 4098051
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-6-methyl-4-oxo-4H-chromene-2-carboxamide
CID 16013495
7,8-dimethyl-4-oxo-N-[2-(phenylcarbonyl)-1-benzofuran-3-yl]-4H-chromene-2-carboxamide
CID 16013516
(3-Amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
CID 1088163
4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 1192919

Frequently Asked Questions

What is the IUPAC name of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone (CID 58759571) is (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone is Nc1c(C(=O)c2ccccc2F)oc2cc3c(cc12)CCCC3.
What is the InChIKey of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone?
The InChIKey is WJGCXDHNFSCLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c20-15-8-4-3-7-13(15)18(22)19-17(21)14-9-11-5-1-2-6-12(11)10-16(14)23-19/h3-4,7-10H,1-2,5-6,21H2.
What are the key properties of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone?
(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone has a molecular weight of 309.34 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 58759571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).