(1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone

C19H15F2NO2 — CID 10286565

IUPAC(1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2F)oc2ccc3c(c12)CCCC3
InChIInChI=1S/C19H15F2NO2/c20-11-6-7-13(14(21)9-11)18(23)19-17(22)16-12-4-2-1-3-10(12)5-8-15(16)24-19/h5-9H,1-4,22H2
InChIKeyGRMQBWUGVLLSHN-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.40
Rot. Bonds2

About (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone

(1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone (PubChem CID 10286565) 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)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone
PubChem CID10286565
Molecular FormulaC19H15F2NO2
Molecular Weight327.33 g/mol
Exact Mass327.11
IUPAC Name(1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2F)oc2ccc3c(c12)CCCC3
InChIInChI=1S/C19H15F2NO2/c20-11-6-7-13(14(21)9-11)18(23)19-17(22)16-12-4-2-1-3-10(12)5-8-15(16)24-19/h5-9H,1-4,22H2
InChIKeyGRMQBWUGVLLSHN-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)-(2,4-difluorophenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone (CID 10286565) is (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone is Nc1c(C(=O)c2ccc(F)cc2F)oc2ccc3c(c12)CCCC3.
What is the InChIKey of (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone?
The InChIKey is GRMQBWUGVLLSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2/c20-11-6-7-13(14(21)9-11)18(23)19-17(22)16-12-4-2-1-3-10(12)5-8-15(16)24-19/h5-9H,1-4,22H2.
What are the key properties of (1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone?
(1-amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-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)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 10286565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).