1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea

C19H11ClF2N2O2 — CID 2254338

IUPAC1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)Nc1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H11ClF2N2O2/c20-13-8-14(21)15(22)9-16(13)24-19(25)23-10-5-6-12-11-3-1-2-4-17(11)26-18(12)7-10/h1-9H,(H2,23,24,25)
InChIKeyLZTOJXOAAGPSHT-UHFFFAOYSA-N
MW372.76 g/mol
LogP6.16
Rot. Bonds2

About 1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea

1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea (PubChem CID 2254338) has the molecular formula C19H11ClF2N2O2 and a molecular weight of 372.76 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea
PubChem CID2254338
Molecular FormulaC19H11ClF2N2O2
Molecular Weight372.76 g/mol
Exact Mass372.05
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)Nc1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H11ClF2N2O2/c20-13-8-14(21)15(22)9-16(13)24-19(25)23-10-5-6-12-11-3-1-2-4-17(11)26-18(12)7-10/h1-9H,(H2,23,24,25)
InChIKeyLZTOJXOAAGPSHT-UHFFFAOYSA-N
XLogP6.16
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.76
LogP ≤ 56.16
H-Bond Donors ≤ 52
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 1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea (CID 2254338) is 1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea is O=C(Nc1ccc2c(c1)oc1ccccc12)Nc1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea?
The InChIKey is LZTOJXOAAGPSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N2O2/c20-13-8-14(21)15(22)9-16(13)24-19(25)23-10-5-6-12-11-3-1-2-4-17(11)26-18(12)7-10/h1-9H,(H2,23,24,25).
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea?
1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea has a molecular weight of 372.76 g/mol, XLogP of 6.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)-3-dibenzofuran-3-ylurea is sourced from PubChem (CID 2254338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).