1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea

C19H15F2N3O2 — CID 150575761

IUPAC1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccccc2)cn1
InChIInChI=1S/C19H15F2N3O2/c1-22-19(25)24-17-10-16(26-18-14(20)8-5-9-15(18)21)13(11-23-17)12-6-3-2-4-7-12/h2-11H,1H3,(H2,22,23,24,25)
InChIKeyIMTSRCKDFSDLCM-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.57
Rot. Bonds4

About 1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea

1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea (PubChem CID 150575761) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea
PubChem CID150575761
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccccc2)cn1
InChIInChI=1S/C19H15F2N3O2/c1-22-19(25)24-17-10-16(26-18-14(20)8-5-9-15(18)21)13(11-23-17)12-6-3-2-4-7-12/h2-11H,1H3,(H2,22,23,24,25)
InChIKeyIMTSRCKDFSDLCM-UHFFFAOYSA-N
XLogP4.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea (CID 150575761) is 1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccccc2)cn1.
What is the InChIKey of 1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea?
The InChIKey is IMTSRCKDFSDLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-22-19(25)24-17-10-16(26-18-14(20)8-5-9-15(18)21)13(11-23-17)12-6-3-2-4-7-12/h2-11H,1H3,(H2,22,23,24,25).
What are the key properties of 1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea?
1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea has a molecular weight of 355.34 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 150575761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).