1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea

C17H18ClFN2O2 — CID 42892142

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFN2O2/c18-14-7-5-13(6-8-14)16(22)11-21-17(23)20-10-9-12-3-1-2-4-15(12)19/h1-8,16,22H,9-11H2,(H2,20,21,23)
InChIKeyPBWZVPQHDRMLCY-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.05
Rot. Bonds6

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 42892142) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID42892142
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFN2O2/c18-14-7-5-13(6-8-14)16(22)11-21-17(23)20-10-9-12-3-1-2-4-15(12)19/h1-8,16,22H,9-11H2,(H2,20,21,23)
InChIKeyPBWZVPQHDRMLCY-UHFFFAOYSA-N
XLogP3.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea (CID 42892142) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea is O=C(NCCc1ccccc1F)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is PBWZVPQHDRMLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c18-14-7-5-13(6-8-14)16(22)11-21-17(23)20-10-9-12-3-1-2-4-15(12)19/h1-8,16,22H,9-11H2,(H2,20,21,23).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 336.79 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 42892142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).