1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea

C18H14FN3O2 — CID 24818761

IUPAC1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea
SMILESO=C(NNC(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O2/c19-15-7-9-16(10-8-15)20-18(24)22-21-17(23)14-6-5-12-3-1-2-4-13(12)11-14/h1-11H,(H,21,23)(H2,20,22,24)
InChIKeyIZVIDBOMQKQMMV-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.45
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea

1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea (PubChem CID 24818761) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea
PubChem CID24818761
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea
SMILESO=C(NNC(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O2/c19-15-7-9-16(10-8-15)20-18(24)22-21-17(23)14-6-5-12-3-1-2-4-13(12)11-14/h1-11H,(H,21,23)(H2,20,22,24)
InChIKeyIZVIDBOMQKQMMV-UHFFFAOYSA-N
XLogP3.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea (CID 24818761) is 1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea is O=C(NNC(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea?
The InChIKey is IZVIDBOMQKQMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-15-7-9-16(10-8-15)20-18(24)22-21-17(23)14-6-5-12-3-1-2-4-13(12)11-14/h1-11H,(H,21,23)(H2,20,22,24).
What are the key properties of 1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea?
1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea has a molecular weight of 323.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)urea is sourced from PubChem (CID 24818761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).