8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine

C20H16F2N2O — CID 22663947

IUPAC8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine
SMILESCNc1ccc2oc3ccc(NCc4ccc(F)cc4F)cc3c2c1
InChIInChI=1S/C20H16F2N2O/c1-23-14-4-6-19-16(9-14)17-10-15(5-7-20(17)25-19)24-11-12-2-3-13(21)8-18(12)22/h2-10,23-24H,11H2,1H3
InChIKeyVVZHIFHVUWKCIM-UHFFFAOYSA-N
MW338.36 g/mol
LogP5.52
Rot. Bonds4

About 8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine

8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine (PubChem CID 22663947) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is 8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine.

Molecular Properties

Compound Name8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine
PubChem CID22663947
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine
SMILESCNc1ccc2oc3ccc(NCc4ccc(F)cc4F)cc3c2c1
InChIInChI=1S/C20H16F2N2O/c1-23-14-4-6-19-16(9-14)17-10-15(5-7-20(17)25-19)24-11-12-2-3-13(21)8-18(12)22/h2-10,23-24H,11H2,1H3
InChIKeyVVZHIFHVUWKCIM-UHFFFAOYSA-N
XLogP5.52
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.36
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine?
The IUPAC name of 8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine (CID 22663947) is 8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine.
What is the SMILES notation for 8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine?
The canonical SMILES for 8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine is CNc1ccc2oc3ccc(NCc4ccc(F)cc4F)cc3c2c1.
What is the InChIKey of 8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine?
The InChIKey is VVZHIFHVUWKCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O/c1-23-14-4-6-19-16(9-14)17-10-15(5-7-20(17)25-19)24-11-12-2-3-13(21)8-18(12)22/h2-10,23-24H,11H2,1H3.
What are the key properties of 8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine?
8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine has a molecular weight of 338.36 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine is sourced from PubChem (CID 22663947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).