1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea

C16H14F4N2O3 — CID 55738771

IUPAC1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccc(OC(F)F)cc1)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C16H14F4N2O3/c17-14(18)24-12-6-4-10(5-7-12)9-21-16(23)22-11-2-1-3-13(8-11)25-15(19)20/h1-8,14-15H,9H2,(H2,21,22,23)
InChIKeyHJZATQHFDBESFG-UHFFFAOYSA-N
MW358.29 g/mol
LogP4.21
Rot. Bonds7

About 1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea

1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea (PubChem CID 55738771) has the molecular formula C16H14F4N2O3 and a molecular weight of 358.29 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
PubChem CID55738771
Molecular FormulaC16H14F4N2O3
Molecular Weight358.29 g/mol
Exact Mass358.09
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccc(OC(F)F)cc1)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C16H14F4N2O3/c17-14(18)24-12-6-4-10(5-7-12)9-21-16(23)22-11-2-1-3-13(8-11)25-15(19)20/h1-8,14-15H,9H2,(H2,21,22,23)
InChIKeyHJZATQHFDBESFG-UHFFFAOYSA-N
XLogP4.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(difluoromethoxy)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 3837878
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567827
1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 55738445
1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
CID 47039486
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 47039477
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-methyl-3-nitrophenyl)urea
CID 55696927
1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea
CID 59649481
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-(3-chlorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl]thiourea
CID 3695859
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 36873297
1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473727

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea (CID 55738771) is 1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea is O=C(NCc1ccc(OC(F)F)cc1)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea?
The InChIKey is HJZATQHFDBESFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O3/c17-14(18)24-12-6-4-10(5-7-12)9-21-16(23)22-11-2-1-3-13(8-11)25-15(19)20/h1-8,14-15H,9H2,(H2,21,22,23).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea?
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea has a molecular weight of 358.29 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 55738771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).