1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea

C24H19FN2O2 — CID 42962125

IUPAC1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea
SMILESO=C(Nc1ccccc1F)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C24H19FN2O2/c25-19-12-6-7-13-20(19)26-24(29)27-23(17-9-2-1-3-10-17)22-18-11-5-4-8-16(18)14-15-21(22)28/h1-15,23,28H,(H2,26,27,29)
InChIKeyKEUFIOARTJXQGF-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.60
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea

1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea (PubChem CID 42962125) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea
PubChem CID42962125
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea
SMILESO=C(Nc1ccccc1F)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C24H19FN2O2/c25-19-12-6-7-13-20(19)26-24(29)27-23(17-9-2-1-3-10-17)22-18-11-5-4-8-16(18)14-15-21(22)28/h1-15,23,28H,(H2,26,27,29)
InChIKeyKEUFIOARTJXQGF-UHFFFAOYSA-N
XLogP5.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea (CID 42962125) is 1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea is O=C(Nc1ccccc1F)NC(c1ccccc1)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea?
The InChIKey is KEUFIOARTJXQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c25-19-12-6-7-13-20(19)26-24(29)27-23(17-9-2-1-3-10-17)22-18-11-5-4-8-16(18)14-15-21(22)28/h1-15,23,28H,(H2,26,27,29).
What are the key properties of 1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea?
1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea has a molecular weight of 386.43 g/mol, XLogP of 5.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea is sourced from PubChem (CID 42962125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).