1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea

C15H12F4N2O — CID 47033191

IUPAC1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea
SMILESCC(NC(=O)Nc1cc(F)cc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12F4N2O/c1-8(9-2-3-13(18)14(19)4-9)20-15(22)21-12-6-10(16)5-11(17)7-12/h2-8H,1H3,(H2,20,21,22)
InChIKeyXLNHOWUOPDSOEI-UHFFFAOYSA-N
MW312.27 g/mol
LogP4.13
Rot. Bonds3

About 1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea

1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea (PubChem CID 47033191) has the molecular formula C15H12F4N2O and a molecular weight of 312.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea
PubChem CID47033191
Molecular FormulaC15H12F4N2O
Molecular Weight312.27 g/mol
Exact Mass312.09
IUPAC Name1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea
SMILESCC(NC(=O)Nc1cc(F)cc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12F4N2O/c1-8(9-2-3-13(18)14(19)4-9)20-15(22)21-12-6-10(16)5-11(17)7-12/h2-8H,1H3,(H2,20,21,22)
InChIKeyXLNHOWUOPDSOEI-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea
CID 112825000
1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47039459
1-[1-(3,4-difluorophenyl)ethyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47033453
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 27869518
1-[1-(3,4-difluorophenyl)ethyl]-3-(1-methylpyrazol-3-yl)urea
CID 78834721
N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide
CID 60611979
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 43697344
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea
CID 95975263
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea (CID 47033191) is 1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea is CC(NC(=O)Nc1cc(F)cc(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea?
The InChIKey is XLNHOWUOPDSOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O/c1-8(9-2-3-13(18)14(19)4-9)20-15(22)21-12-6-10(16)5-11(17)7-12/h2-8H,1H3,(H2,20,21,22).
What are the key properties of 1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea?
1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea has a molecular weight of 312.27 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea is sourced from PubChem (CID 47033191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).