1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea

C20H21F3N2O3 — CID 71913952

IUPAC1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccc(F)c(F)c1)Nc1ccc(F)cc1OC1CCCC1
InChIInChI=1S/C20H21F3N2O3/c21-13-6-8-17(19(10-13)28-14-3-1-2-4-14)25-20(27)24-11-18(26)12-5-7-15(22)16(23)9-12/h5-10,14,18,26H,1-4,11H2,(H2,24,25,27)
InChIKeyLKHBZSSVZYVKON-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.28
Rot. Bonds6

About 1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea

1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea (PubChem CID 71913952) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
PubChem CID71913952
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccc(F)c(F)c1)Nc1ccc(F)cc1OC1CCCC1
InChIInChI=1S/C20H21F3N2O3/c21-13-6-8-17(19(10-13)28-14-3-1-2-4-14)25-20(27)24-11-18(26)12-5-7-15(22)16(23)9-12/h5-10,14,18,26H,1-4,11H2,(H2,24,25,27)
InChIKeyLKHBZSSVZYVKON-UHFFFAOYSA-N
XLogP4.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea (CID 71913952) is 1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea is O=C(NCC(O)c1ccc(F)c(F)c1)Nc1ccc(F)cc1OC1CCCC1.
What is the InChIKey of 1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is LKHBZSSVZYVKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c21-13-6-8-17(19(10-13)28-14-3-1-2-4-14)25-20(27)24-11-18(26)12-5-7-15(22)16(23)9-12/h5-10,14,18,26H,1-4,11H2,(H2,24,25,27).
What are the key properties of 1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea?
1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 394.39 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 71913952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).