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

C19H21FN2O2 — CID 71788852

IUPAC1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C19H21FN2O2/c20-17-10-6-14(7-11-17)12-21-18(23)22-13-19(24,16-8-9-16)15-4-2-1-3-5-15/h1-7,10-11,16,24H,8-9,12-13H2,(H2,21,22,23)
InChIKeyFRNLRDZNIMPGJL-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.92
Rot. Bonds6

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

1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea (PubChem CID 71788852) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea
PubChem CID71788852
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C19H21FN2O2/c20-17-10-6-14(7-11-17)12-21-18(23)22-13-19(24,16-8-9-16)15-4-2-1-3-5-15/h1-7,10-11,16,24H,8-9,12-13H2,(H2,21,22,23)
InChIKeyFRNLRDZNIMPGJL-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea (CID 71788852) is 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea is O=C(NCc1ccc(F)cc1)NCC(O)(c1ccccc1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is FRNLRDZNIMPGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-17-10-6-14(7-11-17)12-21-18(23)22-13-19(24,16-8-9-16)15-4-2-1-3-5-15/h1-7,10-11,16,24H,8-9,12-13H2,(H2,21,22,23).
What are the key properties of 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea?
1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 328.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 71788852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).