[5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C15H12Cl2FNO — CID 11370364

IUPAC[5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cc(Cl)cc(-c3ccc(F)c(Cl)c3)c2O1
InChIInChI=1S/C15H12Cl2FNO/c16-10-3-9-4-11(7-19)20-15(9)12(6-10)8-1-2-14(18)13(17)5-8/h1-3,5-6,11H,4,7,19H2
InChIKeyCLELACDGSWLISH-UHFFFAOYSA-N
MW312.17 g/mol
LogP4.06
Rot. Bonds2

About [5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 11370364) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is [5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID11370364
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name[5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cc(Cl)cc(-c3ccc(F)c(Cl)c3)c2O1
InChIInChI=1S/C15H12Cl2FNO/c16-10-3-9-4-11(7-19)20-15(9)12(6-10)8-1-2-14(18)13(17)5-8/h1-3,5-6,11H,4,7,19H2
InChIKeyCLELACDGSWLISH-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine 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 [5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 11370364) is [5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2cc(Cl)cc(-c3ccc(F)c(Cl)c3)c2O1.
What is the InChIKey of [5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is CLELACDGSWLISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c16-10-3-9-4-11(7-19)20-15(9)12(6-10)8-1-2-14(18)13(17)5-8/h1-3,5-6,11H,4,7,19H2.
What are the key properties of [5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 312.17 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 11370364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).