3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea

C19H21F3N2O4 — CID 112825805

IUPAC3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea
SMILESCOc1ccc(NC(=O)N(C)CCOc2ccccc2)cc1OCC(F)(F)F
InChIInChI=1S/C19H21F3N2O4/c1-24(10-11-27-15-6-4-3-5-7-15)18(25)23-14-8-9-16(26-2)17(12-14)28-13-19(20,21)22/h3-9,12H,10-11,13H2,1-2H3,(H,23,25)
InChIKeyGJNSVHVUHGGCBF-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.18
Rot. Bonds8

About 3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea

3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea (PubChem CID 112825805) has the molecular formula C19H21F3N2O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea
PubChem CID112825805
Molecular FormulaC19H21F3N2O4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC Name3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea
SMILESCOc1ccc(NC(=O)N(C)CCOc2ccccc2)cc1OCC(F)(F)F
InChIInChI=1S/C19H21F3N2O4/c1-24(10-11-27-15-6-4-3-5-7-15)18(25)23-14-8-9-16(26-2)17(12-14)28-13-19(20,21)22/h3-9,12H,10-11,13H2,1-2H3,(H,23,25)
InChIKeyGJNSVHVUHGGCBF-UHFFFAOYSA-N
XLogP4.18
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(3-phenoxypropyl)urea
CID 112825655
3-[[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122075590
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide
CID 119949715
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(N-methylanilino)propyl]urea
CID 112826091
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea
CID 112825014
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-(5-methylhexan-2-yl)urea
CID 112825815
1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea
CID 38147908
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369
(2S)-2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119717616
4-[[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]butanoic acid
CID 122075598

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea?
The IUPAC name of 3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea (CID 112825805) is 3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea.
What is the SMILES notation for 3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea?
The canonical SMILES for 3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea is COc1ccc(NC(=O)N(C)CCOc2ccccc2)cc1OCC(F)(F)F.
What is the InChIKey of 3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea?
The InChIKey is GJNSVHVUHGGCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4/c1-24(10-11-27-15-6-4-3-5-7-15)18(25)23-14-8-9-16(26-2)17(12-14)28-13-19(20,21)22/h3-9,12H,10-11,13H2,1-2H3,(H,23,25).
What are the key properties of 3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea?
3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea has a molecular weight of 398.38 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea is sourced from PubChem (CID 112825805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).