3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea

C18H18ClFN2O2 — CID 95972891

IUPAC3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea
SMILESO=C(Nc1ccc(F)cc1Cl)N(C[C@H](O)c1ccccc1)C1CC1
InChIInChI=1S/C18H18ClFN2O2/c19-15-10-13(20)6-9-16(15)21-18(24)22(14-7-8-14)11-17(23)12-4-2-1-3-5-12/h1-6,9-10,14,17,23H,7-8,11H2,(H,21,24)/t17-/m0/s1
InChIKeyIHYFPIFKLUIKDK-KRWDZBQOSA-N
MW348.81 g/mol
LogP4.21
Rot. Bonds5

About 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea

3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea (PubChem CID 95972891) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea
PubChem CID95972891
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea
SMILESO=C(Nc1ccc(F)cc1Cl)N(C[C@H](O)c1ccccc1)C1CC1
InChIInChI=1S/C18H18ClFN2O2/c19-15-10-13(20)6-9-16(15)21-18(24)22(14-7-8-14)11-17(23)12-4-2-1-3-5-12/h1-6,9-10,14,17,23H,7-8,11H2,(H,21,24)/t17-/m0/s1
InChIKeyIHYFPIFKLUIKDK-KRWDZBQOSA-N
XLogP4.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea (CID 95972891) is 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea is O=C(Nc1ccc(F)cc1Cl)N(C[C@H](O)c1ccccc1)C1CC1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea?
The InChIKey is IHYFPIFKLUIKDK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-15-10-13(20)6-9-16(15)21-18(24)22(14-7-8-14)11-17(23)12-4-2-1-3-5-12/h1-6,9-10,14,17,23H,7-8,11H2,(H,21,24)/t17-/m0/s1.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea?
3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea has a molecular weight of 348.81 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea is sourced from PubChem (CID 95972891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).