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

C16H13F5N2O3 — CID 4995803

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCc1ccccc1OC(F)F)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H13F5N2O3/c17-14(18)25-12-7-3-1-5-10(12)9-22-15(24)23-11-6-2-4-8-13(11)26-16(19,20)21/h1-8,14H,9H2,(H2,22,23,24)
InChIKeyANHBRMVIYDHZLE-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.51
Rot. Bonds6

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

1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea (PubChem CID 4995803) has the molecular formula C16H13F5N2O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
PubChem CID4995803
Molecular FormulaC16H13F5N2O3
Molecular Weight376.28 g/mol
Exact Mass376.08
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCc1ccccc1OC(F)F)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H13F5N2O3/c17-14(18)25-12-7-3-1-5-10(12)9-22-15(24)23-11-6-2-4-8-13(11)26-16(19,20)21/h1-8,14H,9H2,(H2,22,23,24)
InChIKeyANHBRMVIYDHZLE-UHFFFAOYSA-N
XLogP4.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 52595761
1-[(5-fluoro-2-methylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3594769
1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3859950
N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987896
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 111431252
4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid
CID 61185657
1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
CID 47129823
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea
CID 74225609
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3728140
1-(5-chloro-2-methylphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 74229487
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea
CID 78833839

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea (CID 4995803) is 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea is O=C(NCc1ccccc1OC(F)F)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The InChIKey is ANHBRMVIYDHZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N2O3/c17-14(18)25-12-7-3-1-5-10(12)9-22-15(24)23-11-6-2-4-8-13(11)26-16(19,20)21/h1-8,14H,9H2,(H2,22,23,24).
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea has a molecular weight of 376.28 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 4995803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).