1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea

C19H20F3N3O3 — CID 71086841

IUPAC1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea
SMILESO=C(NCc1cccc(OC(F)F)c1)Nc1ccc([C@H]2CNCCO2)cc1F
InChIInChI=1S/C19H20F3N3O3/c20-15-9-13(17-11-23-6-7-27-17)4-5-16(15)25-19(26)24-10-12-2-1-3-14(8-12)28-18(21)22/h1-5,8-9,17-18,23H,6-7,10-11H2,(H2,24,25,26)/t17-/m1/s1
InChIKeyQWRFRBFGFHDFNT-QGZVFWFLSA-N
MW395.38 g/mol
LogP3.41
Rot. Bonds6

About 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea

1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea (PubChem CID 71086841) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea
PubChem CID71086841
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea
SMILESO=C(NCc1cccc(OC(F)F)c1)Nc1ccc([C@H]2CNCCO2)cc1F
InChIInChI=1S/C19H20F3N3O3/c20-15-9-13(17-11-23-6-7-27-17)4-5-16(15)25-19(26)24-10-12-2-1-3-14(8-12)28-18(21)22/h1-5,8-9,17-18,23H,6-7,10-11H2,(H2,24,25,26)/t17-/m1/s1
InChIKeyQWRFRBFGFHDFNT-QGZVFWFLSA-N
XLogP3.41
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea 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-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea?
The IUPAC name of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea (CID 71086841) is 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea.
What is the SMILES notation for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea?
The canonical SMILES for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea is O=C(NCc1cccc(OC(F)F)c1)Nc1ccc([C@H]2CNCCO2)cc1F.
What is the InChIKey of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea?
The InChIKey is QWRFRBFGFHDFNT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c20-15-9-13(17-11-23-6-7-27-17)4-5-16(15)25-19(26)24-10-12-2-1-3-14(8-12)28-18(21)22/h1-5,8-9,17-18,23H,6-7,10-11H2,(H2,24,25,26)/t17-/m1/s1.
What are the key properties of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea?
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea has a molecular weight of 395.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea is sourced from PubChem (CID 71086841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).