1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea

C19H20F2N2O2 — CID 111722540

IUPAC1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1F)N(CC(O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H20F2N2O2/c20-15-7-5-13(6-8-15)18(24)12-23(16-9-10-16)19(25)22-11-14-3-1-2-4-17(14)21/h1-8,16,18,24H,9-12H2,(H,22,25)
InChIKeyFASQCOQEXKKCAD-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.37
Rot. Bonds6

About 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea

1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea (PubChem CID 111722540) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
PubChem CID111722540
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1F)N(CC(O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H20F2N2O2/c20-15-7-5-13(6-8-15)18(24)12-23(16-9-10-16)19(25)22-11-14-3-1-2-4-17(14)21/h1-8,16,18,24H,9-12H2,(H,22,25)
InChIKeyFASQCOQEXKKCAD-UHFFFAOYSA-N
XLogP3.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea (CID 111722540) is 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea is O=C(NCc1ccccc1F)N(CC(O)c1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is FASQCOQEXKKCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-15-7-5-13(6-8-15)18(24)12-23(16-9-10-16)19(25)22-11-14-3-1-2-4-17(14)21/h1-8,16,18,24H,9-12H2,(H,22,25).
What are the key properties of 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea?
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 346.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 111722540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).