1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea

C18H14FN3O3 — CID 24818777

IUPAC1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccccc1F
InChIInChI=1S/C18H14FN3O3/c19-14-7-3-4-8-15(14)20-18(25)22-21-17(24)13-9-11-5-1-2-6-12(11)10-16(13)23/h1-10,23H,(H,21,24)(H2,20,22,25)
InChIKeyOOOPJBGWVZLURR-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.15
Rot. Bonds2

About 1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea

1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea (PubChem CID 24818777) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
PubChem CID24818777
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccccc1F
InChIInChI=1S/C18H14FN3O3/c19-14-7-3-4-8-15(14)20-18(25)22-21-17(24)13-9-11-5-1-2-6-12(11)10-16(13)23/h1-10,23H,(H,21,24)(H2,20,22,25)
InChIKeyOOOPJBGWVZLURR-UHFFFAOYSA-N
XLogP3.15
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea (CID 24818777) is 1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea is O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea?
The InChIKey is OOOPJBGWVZLURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c19-14-7-3-4-8-15(14)20-18(25)22-21-17(24)13-9-11-5-1-2-6-12(11)10-16(13)23/h1-10,23H,(H,21,24)(H2,20,22,25).
What are the key properties of 1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea?
1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea has a molecular weight of 339.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea is sourced from PubChem (CID 24818777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).