1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea

C17H16F4N2O3 — CID 3704800

IUPAC1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
SMILESCOc1cc(NC(=O)NCc2ccc(C(F)(F)F)cc2F)cc(OC)c1
InChIInChI=1S/C17H16F4N2O3/c1-25-13-6-12(7-14(8-13)26-2)23-16(24)22-9-10-3-4-11(5-15(10)18)17(19,20)21/h3-8H,9H2,1-2H3,(H2,22,23,24)
InChIKeyNQPUIMDOKVYKFX-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.18
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea

1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 3704800) has the molecular formula C17H16F4N2O3 and a molecular weight of 372.32 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID3704800
Molecular FormulaC17H16F4N2O3
Molecular Weight372.32 g/mol
Exact Mass372.11
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
SMILESCOc1cc(NC(=O)NCc2ccc(C(F)(F)F)cc2F)cc(OC)c1
InChIInChI=1S/C17H16F4N2O3/c1-25-13-6-12(7-14(8-13)26-2)23-16(24)22-9-10-3-4-11(5-15(10)18)17(19,20)21/h3-8H,9H2,1-2H3,(H2,22,23,24)
InChIKeyNQPUIMDOKVYKFX-UHFFFAOYSA-N
XLogP4.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]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

1-(3,5-dimethylphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3687858
1-(2,6-dichloro-4-pyridinyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3692964
ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate
CID 3733924
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea
CID 3763327
1-(2,5-dimethylphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3687808
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-pentylurea
CID 3790964
methyl 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate
CID 3591060
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 3809649
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
dimethyl 5-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzene-1,3-dicarboxylate
CID 3282636
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea (CID 3704800) is 1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea is COc1cc(NC(=O)NCc2ccc(C(F)(F)F)cc2F)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is NQPUIMDOKVYKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O3/c1-25-13-6-12(7-14(8-13)26-2)23-16(24)22-9-10-3-4-11(5-15(10)18)17(19,20)21/h3-8H,9H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea?
1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 372.32 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 3704800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).