1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea

C15H20ClFN2O3 — CID 75394148

IUPAC1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea
SMILESCC(NC(=O)NCC(O)c1ccc(Cl)c(F)c1)C1CCOC1
InChIInChI=1S/C15H20ClFN2O3/c1-9(11-4-5-22-8-11)19-15(21)18-7-14(20)10-2-3-12(16)13(17)6-10/h2-3,6,9,11,14,20H,4-5,7-8H2,1H3,(H2,18,19,21)
InChIKeyHWRBYHFKONOMOI-UHFFFAOYSA-N
MW330.79 g/mol
LogP2.24
Rot. Bonds5

About 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea

1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea (PubChem CID 75394148) has the molecular formula C15H20ClFN2O3 and a molecular weight of 330.79 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea
PubChem CID75394148
Molecular FormulaC15H20ClFN2O3
Molecular Weight330.79 g/mol
Exact Mass330.11
IUPAC Name1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea
SMILESCC(NC(=O)NCC(O)c1ccc(Cl)c(F)c1)C1CCOC1
InChIInChI=1S/C15H20ClFN2O3/c1-9(11-4-5-22-8-11)19-15(21)18-7-14(20)10-2-3-12(16)13(17)6-10/h2-3,6,9,11,14,20H,4-5,7-8H2,1H3,(H2,18,19,21)
InChIKeyHWRBYHFKONOMOI-UHFFFAOYSA-N
XLogP2.24
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The IUPAC name of 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea (CID 75394148) is 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea is CC(NC(=O)NCC(O)c1ccc(Cl)c(F)c1)C1CCOC1.
What is the InChIKey of 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The InChIKey is HWRBYHFKONOMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O3/c1-9(11-4-5-22-8-11)19-15(21)18-7-14(20)10-2-3-12(16)13(17)6-10/h2-3,6,9,11,14,20H,4-5,7-8H2,1H3,(H2,18,19,21).
What are the key properties of 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea?
1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea has a molecular weight of 330.79 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-yl)ethyl]urea is sourced from PubChem (CID 75394148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).