(1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone

C19H15F2NO2 — CID 58759589

IUPAC(1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone
SMILESNc1c(C(=O)c2cccc(F)c2F)oc2ccc3c(c12)CCCC3
InChIInChI=1S/C19H15F2NO2/c20-13-7-3-6-12(16(13)21)18(23)19-17(22)15-11-5-2-1-4-10(11)8-9-14(15)24-19/h3,6-9H,1-2,4-5,22H2
InChIKeyTYDLABCYOXHCPT-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.40
Rot. Bonds2

About (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone

(1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone (PubChem CID 58759589) has the molecular formula C19H15F2NO2 and a molecular weight of 327.33 g/mol. Its IUPAC name is (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone.

Molecular Properties

Compound Name(1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone
PubChem CID58759589
Molecular FormulaC19H15F2NO2
Molecular Weight327.33 g/mol
Exact Mass327.11
IUPAC Name(1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone
SMILESNc1c(C(=O)c2cccc(F)c2F)oc2ccc3c(c12)CCCC3
InChIInChI=1S/C19H15F2NO2/c20-13-7-3-6-12(16(13)21)18(23)19-17(22)15-11-5-2-1-4-10(11)8-9-14(15)24-19/h3,6-9H,1-2,4-5,22H2
InChIKeyTYDLABCYOXHCPT-UHFFFAOYSA-N
XLogP4.40
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone with MolForge

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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
N-(2-benzoyl-1-benzofuran-3-yl)-4-fluorobenzamide
CID 4081154
Naphtho[2,1-b]furan-2-carboxamide
CID 2990364
N-{2-[(4-fluorophenyl)carbonyl]-1-benzofuran-3-yl}-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
CID 1867022
N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 4098051
(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 (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone?
The IUPAC name of (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone (CID 58759589) is (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone.
What is the SMILES notation for (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone?
The canonical SMILES for (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone is Nc1c(C(=O)c2cccc(F)c2F)oc2ccc3c(c12)CCCC3.
What is the InChIKey of (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone?
The InChIKey is TYDLABCYOXHCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2/c20-13-7-3-6-12(16(13)21)18(23)19-17(22)15-11-5-2-1-4-10(11)8-9-14(15)24-19/h3,6-9H,1-2,4-5,22H2.
What are the key properties of (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone?
(1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone has a molecular weight of 327.33 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone is sourced from PubChem (CID 58759589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).