2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide

C19H10ClF2NO2 — CID 2883350

IUPAC2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H10ClF2NO2/c20-14-9-16(22)15(21)8-13(14)19(24)23-10-5-6-12-11-3-1-2-4-17(11)25-18(12)7-10/h1-9H,(H,23,24)
InChIKeyJBAJOIJIEBAEEB-UHFFFAOYSA-N
MW357.74 g/mol
LogP5.77
Rot. Bonds2

About 2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide

2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide (PubChem CID 2883350) has the molecular formula C19H10ClF2NO2 and a molecular weight of 357.74 g/mol. Its IUPAC name is 2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide
PubChem CID2883350
Molecular FormulaC19H10ClF2NO2
Molecular Weight357.74 g/mol
Exact Mass357.04
IUPAC Name2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H10ClF2NO2/c20-14-9-16(22)15(21)8-13(14)19(24)23-10-5-6-12-11-3-1-2-4-17(11)25-18(12)7-10/h1-9H,(H,23,24)
InChIKeyJBAJOIJIEBAEEB-UHFFFAOYSA-N
XLogP5.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.74
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide (CID 2883350) is 2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide is O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide?
The InChIKey is JBAJOIJIEBAEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF2NO2/c20-14-9-16(22)15(21)8-13(14)19(24)23-10-5-6-12-11-3-1-2-4-17(11)25-18(12)7-10/h1-9H,(H,23,24).
What are the key properties of 2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide?
2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide has a molecular weight of 357.74 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide is sourced from PubChem (CID 2883350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).