1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea

C14H12F2N4O2 — CID 51062882

IUPAC1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea
SMILESO=C(NNC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H12F2N4O2/c15-9-1-5-11(6-2-9)17-13(21)19-20-14(22)18-12-7-3-10(16)4-8-12/h1-8H,(H2,17,19,21)(H2,18,20,22)
InChIKeyDGQPDHJAQGECBA-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.82
Rot. Bonds2

About 1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea

1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea (PubChem CID 51062882) has the molecular formula C14H12F2N4O2 and a molecular weight of 306.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea
PubChem CID51062882
Molecular FormulaC14H12F2N4O2
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea
SMILESO=C(NNC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H12F2N4O2/c15-9-1-5-11(6-2-9)17-13(21)19-20-14(22)18-12-7-3-10(16)4-8-12/h1-8H,(H2,17,19,21)(H2,18,20,22)
InChIKeyDGQPDHJAQGECBA-UHFFFAOYSA-N
XLogP2.82
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.82
H-Bond Donors ≤ 54
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-[(4-fluorophenyl)carbamoylamino]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea (CID 51062882) is 1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea is O=C(NNC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea?
The InChIKey is DGQPDHJAQGECBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O2/c15-9-1-5-11(6-2-9)17-13(21)19-20-14(22)18-12-7-3-10(16)4-8-12/h1-8H,(H2,17,19,21)(H2,18,20,22).
What are the key properties of 1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea?
1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea has a molecular weight of 306.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(4-fluorophenyl)carbamoylamino]urea is sourced from PubChem (CID 51062882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).