1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea

C24H26FN3O3 — CID 10194663

IUPAC1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCCO)c1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C24H26FN3O3/c25-20-7-6-18-12-17(4-5-19(18)13-20)15-28-9-8-22(16-28)27-24(30)26-21-2-1-3-23(14-21)31-11-10-29/h1-7,12-14,22,29H,8-11,15-16H2,(H2,26,27,30)/t22-/m1/s1
InChIKeyWLOACWIOQWNDSJ-JOCHJYFZSA-N
MW423.49 g/mol
LogP3.75
Rot. Bonds7

About 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea

1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea (PubChem CID 10194663) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea
PubChem CID10194663
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCCO)c1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C24H26FN3O3/c25-20-7-6-18-12-17(4-5-19(18)13-20)15-28-9-8-22(16-28)27-24(30)26-21-2-1-3-23(14-21)31-11-10-29/h1-7,12-14,22,29H,8-11,15-16H2,(H2,26,27,30)/t22-/m1/s1
InChIKeyWLOACWIOQWNDSJ-JOCHJYFZSA-N
XLogP3.75
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea?
The IUPAC name of 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea (CID 10194663) is 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea.
What is the SMILES notation for 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea?
The canonical SMILES for 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea is O=C(Nc1cccc(OCCO)c1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1.
What is the InChIKey of 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea?
The InChIKey is WLOACWIOQWNDSJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26FN3O3/c25-20-7-6-18-12-17(4-5-19(18)13-20)15-28-9-8-22(16-28)27-24(30)26-21-2-1-3-23(14-21)31-11-10-29/h1-7,12-14,22,29H,8-11,15-16H2,(H2,26,27,30)/t22-/m1/s1.
What are the key properties of 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea?
1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea has a molecular weight of 423.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[3-(2-hydroxyethoxy)phenyl]urea is sourced from PubChem (CID 10194663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).