1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea

C11H17ClN2O2 — CID 110748928

IUPAC1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea
SMILESCC(C)(C)CNC(=O)NCc1ccc(Cl)o1
InChIInChI=1S/C11H17ClN2O2/c1-11(2,3)7-14-10(15)13-6-8-4-5-9(12)16-8/h4-5H,6-7H2,1-3H3,(H2,13,14,15)
InChIKeyYWAGXJBBZRHTIL-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.78
Rot. Bonds3

About 1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea

1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea (PubChem CID 110748928) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea.

Molecular Properties

Compound Name1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea
PubChem CID110748928
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea
SMILESCC(C)(C)CNC(=O)NCc1ccc(Cl)o1
InChIInChI=1S/C11H17ClN2O2/c1-11(2,3)7-14-10(15)13-6-8-4-5-9(12)16-8/h4-5H,6-7H2,1-3H3,(H2,13,14,15)
InChIKeyYWAGXJBBZRHTIL-UHFFFAOYSA-N
XLogP2.78
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea?
The IUPAC name of 1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea (CID 110748928) is 1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea.
What is the SMILES notation for 1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea?
The canonical SMILES for 1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea is CC(C)(C)CNC(=O)NCc1ccc(Cl)o1.
What is the InChIKey of 1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea?
The InChIKey is YWAGXJBBZRHTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-11(2,3)7-14-10(15)13-6-8-4-5-9(12)16-8/h4-5H,6-7H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea?
1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea has a molecular weight of 244.72 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea is sourced from PubChem (CID 110748928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).