1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea

C19H13ClN2O2 — CID 3523584

IUPAC1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H13ClN2O2/c20-12-4-3-5-13(10-12)21-19(23)22-14-8-9-16-15-6-1-2-7-17(15)24-18(16)11-14/h1-11H,(H2,21,22,23)
InChIKeyWXQULWGNROJUAB-UHFFFAOYSA-N
MW336.78 g/mol
LogP5.88
Rot. Bonds2

About 1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea

1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea (PubChem CID 3523584) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
PubChem CID3523584
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H13ClN2O2/c20-12-4-3-5-13(10-12)21-19(23)22-14-8-9-16-15-6-1-2-7-17(15)24-18(16)11-14/h1-11H,(H2,21,22,23)
InChIKeyWXQULWGNROJUAB-UHFFFAOYSA-N
XLogP5.88
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.78
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea
CID 2421709
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
CID 168763640
CID 168763640
(2E)-N-dibenzofuran-3-yl-2-hydroxyiminoacetamide
CID 10999588
3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea
CID 75475921
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 86967249
N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide
CID 17099643

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea?
The IUPAC name of 1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea (CID 3523584) is 1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea?
The canonical SMILES for 1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea is O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea?
The InChIKey is WXQULWGNROJUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c20-12-4-3-5-13(10-12)21-19(23)22-14-8-9-16-15-6-1-2-7-17(15)24-18(16)11-14/h1-11H,(H2,21,22,23).
What are the key properties of 1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea?
1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea has a molecular weight of 336.78 g/mol, XLogP of 5.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea is sourced from PubChem (CID 3523584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).