1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea

C15H14F3N3O2 — CID 168892356

IUPAC1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea
SMILESO=C(NCc1ccnc(OC(F)F)c1)Nc1cccc(CF)c1
InChIInChI=1S/C15H14F3N3O2/c16-8-10-2-1-3-12(6-10)21-15(22)20-9-11-4-5-19-13(7-11)23-14(17)18/h1-7,14H,8-9H2,(H2,20,21,22)
InChIKeyVQNVIENXARHARP-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.47
Rot. Bonds6

About 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea

1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea (PubChem CID 168892356) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea
PubChem CID168892356
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea
SMILESO=C(NCc1ccnc(OC(F)F)c1)Nc1cccc(CF)c1
InChIInChI=1S/C15H14F3N3O2/c16-8-10-2-1-3-12(6-10)21-15(22)20-9-11-4-5-19-13(7-11)23-14(17)18/h1-7,14H,8-9H2,(H2,20,21,22)
InChIKeyVQNVIENXARHARP-UHFFFAOYSA-N
XLogP3.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 49480282
1-cyclopentyl-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea;difluoromethane;molecular hydrogen
CID 168892522
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-(3,3-dimethylcyclobutyl)urea;molecular hydrogen
CID 168892298
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(difluoromethyl)cyclobutyl]urea
CID 168892367
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(3-fluoro-1-bicyclo[2.1.0]pentanyl)methyl]urea
CID 168892300
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
tert-butyl N-[[2-(difluoromethoxy)-4-pyridinyl]methyl]carbamate
CID 59461467
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea
CID 168892641
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[[(3R)-3-fluoro-1-bicyclo[2.1.0]pentanyl]methyl]urea;molecular hydrogen
CID 168892181
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-spiro[3.4]octan-7-ylurea
CID 168891882
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-(3-ethylcyclobutyl)urea
CID 168892460
methyl 3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methylcarbamoylamino]benzoate
CID 47040078

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea?
The IUPAC name of 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea (CID 168892356) is 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea?
The canonical SMILES for 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea is O=C(NCc1ccnc(OC(F)F)c1)Nc1cccc(CF)c1.
What is the InChIKey of 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea?
The InChIKey is VQNVIENXARHARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-8-10-2-1-3-12(6-10)21-15(22)20-9-11-4-5-19-13(7-11)23-14(17)18/h1-7,14H,8-9H2,(H2,20,21,22).
What are the key properties of 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea?
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea has a molecular weight of 325.29 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(fluoromethyl)phenyl]urea is sourced from PubChem (CID 168892356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).