1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea

C15H13F3N2O2 — CID 47039486

IUPAC1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1F)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C15H13F3N2O2/c16-13-7-2-1-4-10(13)9-19-15(21)20-11-5-3-6-12(8-11)22-14(17)18/h1-8,14H,9H2,(H2,19,20,21)
InChIKeyNRODEDVUBJCEAU-UHFFFAOYSA-N
MW310.27 g/mol
LogP3.75
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea

1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea (PubChem CID 47039486) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.27 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
PubChem CID47039486
Molecular FormulaC15H13F3N2O2
Molecular Weight310.27 g/mol
Exact Mass310.09
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1F)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C15H13F3N2O2/c16-13-7-2-1-4-10(13)9-19-15(21)20-11-5-3-6-12(8-11)22-14(17)18/h1-8,14H,9H2,(H2,19,20,21)
InChIKeyNRODEDVUBJCEAU-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 49467023
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
1-[3-(difluoromethoxy)phenyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55738450
1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 47039477
4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
CID 40650902
1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 108988918
N-[1-[3-(difluoromethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55742227
N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide
CID 134104747
1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473727
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 3837878
1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 55738445
N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987896

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea (CID 47039486) is 1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea is O=C(NCc1ccccc1F)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is NRODEDVUBJCEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-13-7-2-1-4-10(13)9-19-15(21)20-11-5-3-6-12(8-11)22-14(17)18/h1-8,14H,9H2,(H2,19,20,21).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea?
1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 310.27 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 47039486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).