1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea

C19H17F3N4O3 — CID 71086842

IUPAC1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea
SMILESN#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc(C3CNCCO3)cc2F)c1
InChIInChI=1S/C19H17F3N4O3/c20-13-8-12(17-10-24-5-6-28-17)2-3-14(13)25-19(27)26-15-7-11(9-23)1-4-16(15)29-18(21)22/h1-4,7-8,17-18,24H,5-6,10H2,(H2,25,26,27)
InChIKeyFLOXZVXVABEMEB-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.60
Rot. Bonds5

About 1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea

1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea (PubChem CID 71086842) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is 1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea
PubChem CID71086842
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea
SMILESN#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc(C3CNCCO3)cc2F)c1
InChIInChI=1S/C19H17F3N4O3/c20-13-8-12(17-10-24-5-6-28-17)2-3-14(13)25-19(27)26-15-7-11(9-23)1-4-16(15)29-18(21)22/h1-4,7-8,17-18,24H,5-6,10H2,(H2,25,26,27)
InChIKeyFLOXZVXVABEMEB-UHFFFAOYSA-N
XLogP3.60
TPSA95.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)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-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea?
The IUPAC name of 1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea (CID 71086842) is 1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea.
What is the SMILES notation for 1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea?
The canonical SMILES for 1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea is N#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc(C3CNCCO3)cc2F)c1.
What is the InChIKey of 1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea?
The InChIKey is FLOXZVXVABEMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c20-13-8-12(17-10-24-5-6-28-17)2-3-14(13)25-19(27)26-15-7-11(9-23)1-4-16(15)29-18(21)22/h1-4,7-8,17-18,24H,5-6,10H2,(H2,25,26,27).
What are the key properties of 1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea?
1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea has a molecular weight of 406.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyano-2-(difluoromethoxy)phenyl]-3-(2-fluoro-4-morpholin-2-ylphenyl)urea is sourced from PubChem (CID 71086842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).