1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea

C10H11ClN2O2 — CID 75523780

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea
SMILESCNC(=O)Nc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C10H11ClN2O2/c1-12-10(14)13-8-5-7(11)4-6-2-3-15-9(6)8/h4-5H,2-3H2,1H3,(H2,12,13,14)
InChIKeyYQTGKFKWFHJDOW-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.03
Rot. Bonds1

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea (PubChem CID 75523780) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea
PubChem CID75523780
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea
SMILESCNC(=O)Nc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C10H11ClN2O2/c1-12-10(14)13-8-5-7(11)4-6-2-3-15-9(6)8/h4-5H,2-3H2,1H3,(H2,12,13,14)
InChIKeyYQTGKFKWFHJDOW-UHFFFAOYSA-N
XLogP2.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea (CID 75523780) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea is CNC(=O)Nc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea?
The InChIKey is YQTGKFKWFHJDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-12-10(14)13-8-5-7(11)4-6-2-3-15-9(6)8/h4-5H,2-3H2,1H3,(H2,12,13,14).
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea has a molecular weight of 226.66 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylurea is sourced from PubChem (CID 75523780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).