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

C16H14F4N2O2 — CID 47039459

IUPAC1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
SMILESCC(NC(=O)Nc1cccc(OC(F)F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F4N2O2/c1-9(10-5-6-13(17)14(18)7-10)21-16(23)22-11-3-2-4-12(8-11)24-15(19)20/h2-9,15H,1H3,(H2,21,22,23)
InChIKeyTXIYQVWRVMIJLN-UHFFFAOYSA-N
MW342.29 g/mol
LogP4.45
Rot. Bonds5

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

1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea (PubChem CID 47039459) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
PubChem CID47039459
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
SMILESCC(NC(=O)Nc1cccc(OC(F)F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F4N2O2/c1-9(10-5-6-13(17)14(18)7-10)21-16(23)22-11-3-2-4-12(8-11)24-15(19)20/h2-9,15H,1H3,(H2,21,22,23)
InChIKeyTXIYQVWRVMIJLN-UHFFFAOYSA-N
XLogP4.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea
CID 87010141
1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47033191
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 51291188
N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide
CID 60611979
2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 78808643
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 27869518
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 133204286
2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 51150833
1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943088
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea
CID 112825000
N-[1-[3-(difluoromethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55742227

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea (CID 47039459) is 1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea is CC(NC(=O)Nc1cccc(OC(F)F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea?
The InChIKey is TXIYQVWRVMIJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c1-9(10-5-6-13(17)14(18)7-10)21-16(23)22-11-3-2-4-12(8-11)24-15(19)20/h2-9,15H,1H3,(H2,21,22,23).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea?
1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea has a molecular weight of 342.29 g/mol, XLogP of 4.45, 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-[1-(3,4-difluorophenyl)ethyl]urea is sourced from PubChem (CID 47039459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).