(2-chlorodibenzofuran-4-yl)carbamic acid

C13H8ClNO3 — CID 70068117

IUPAC(2-chlorodibenzofuran-4-yl)carbamic acid
SMILESO=C(O)Nc1cc(Cl)cc2c1oc1ccccc12
InChIInChI=1S/C13H8ClNO3/c14-7-5-9-8-3-1-2-4-11(8)18-12(9)10(6-7)15-13(16)17/h1-6,15H,(H,16,17)
InChIKeyLTXRFNJTPGODEQ-UHFFFAOYSA-N
MW261.66 g/mol
LogP4.33
Rot. Bonds1

About (2-chlorodibenzofuran-4-yl)carbamic acid

(2-chlorodibenzofuran-4-yl)carbamic acid (PubChem CID 70068117) has the molecular formula C13H8ClNO3 and a molecular weight of 261.66 g/mol. Its IUPAC name is (2-chlorodibenzofuran-4-yl)carbamic acid.

Molecular Properties

Compound Name(2-chlorodibenzofuran-4-yl)carbamic acid
PubChem CID70068117
Molecular FormulaC13H8ClNO3
Molecular Weight261.66 g/mol
Exact Mass261.02
IUPAC Name(2-chlorodibenzofuran-4-yl)carbamic acid
SMILESO=C(O)Nc1cc(Cl)cc2c1oc1ccccc12
InChIInChI=1S/C13H8ClNO3/c14-7-5-9-8-3-1-2-4-11(8)18-12(9)10(6-7)15-13(16)17/h1-6,15H,(H,16,17)
InChIKeyLTXRFNJTPGODEQ-UHFFFAOYSA-N
XLogP4.33
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chlorodibenzofuran-4-yl)carbamic acid?
The IUPAC name of (2-chlorodibenzofuran-4-yl)carbamic acid (CID 70068117) is (2-chlorodibenzofuran-4-yl)carbamic acid.
What is the SMILES notation for (2-chlorodibenzofuran-4-yl)carbamic acid?
The canonical SMILES for (2-chlorodibenzofuran-4-yl)carbamic acid is O=C(O)Nc1cc(Cl)cc2c1oc1ccccc12.
What is the InChIKey of (2-chlorodibenzofuran-4-yl)carbamic acid?
The InChIKey is LTXRFNJTPGODEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3/c14-7-5-9-8-3-1-2-4-11(8)18-12(9)10(6-7)15-13(16)17/h1-6,15H,(H,16,17).
What are the key properties of (2-chlorodibenzofuran-4-yl)carbamic acid?
(2-chlorodibenzofuran-4-yl)carbamic acid has a molecular weight of 261.66 g/mol, XLogP of 4.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorodibenzofuran-4-yl)carbamic acid is sourced from PubChem (CID 70068117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).