1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea

C15H14F2N2O2 — CID 91511823

IUPAC1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea
SMILESNC(=O)N(Cc1ccccc1F)OCc1ccccc1F
InChIInChI=1S/C15H14F2N2O2/c16-13-7-3-1-5-11(13)9-19(15(18)20)21-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,18,20)
InChIKeyQSTJQCMVBRCJRC-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.98
Rot. Bonds5

About 1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea

1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea (PubChem CID 91511823) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea
PubChem CID91511823
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea
SMILESNC(=O)N(Cc1ccccc1F)OCc1ccccc1F
InChIInChI=1S/C15H14F2N2O2/c16-13-7-3-1-5-11(13)9-19(15(18)20)21-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,18,20)
InChIKeyQSTJQCMVBRCJRC-UHFFFAOYSA-N
XLogP2.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
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-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea (CID 91511823) is 1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea is NC(=O)N(Cc1ccccc1F)OCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea?
The InChIKey is QSTJQCMVBRCJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-13-7-3-1-5-11(13)9-19(15(18)20)21-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,18,20).
What are the key properties of 1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea?
1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea has a molecular weight of 292.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 91511823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).