1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea

C16H13F3N2O2 — CID 108905985

IUPAC1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
SMILESCOc1cccc(/C=C/NC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H13F3N2O2/c1-23-11-4-2-3-10(9-11)7-8-20-16(22)21-13-6-5-12(17)14(18)15(13)19/h2-9H,1H3,(H2,20,21,22)/b8-7+
InChIKeyJHOARUJDKKZJNV-BQYQJAHWSA-N
MW322.29 g/mol
LogP3.90
Rot. Bonds4

About 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea

1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108905985) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
PubChem CID108905985
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
SMILESCOc1cccc(/C=C/NC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H13F3N2O2/c1-23-11-4-2-3-10(9-11)7-8-20-16(22)21-13-6-5-12(17)14(18)15(13)19/h2-9H,1H3,(H2,20,21,22)/b8-7+
InChIKeyJHOARUJDKKZJNV-BQYQJAHWSA-N
XLogP3.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)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-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825
1-(2,4-dichlorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905710
1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905958
dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate
CID 108905856
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905842
1-[(E)-2-(4-methylphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108907476
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108906014
methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
CID 108905996
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905913
1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108903751
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
CID 108906934
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-nitrophenyl)urea
CID 108905776

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea (CID 108905985) is 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea is COc1cccc(/C=C/NC(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is JHOARUJDKKZJNV-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-23-11-4-2-3-10(9-11)7-8-20-16(22)21-13-6-5-12(17)14(18)15(13)19/h2-9H,1H3,(H2,20,21,22)/b8-7+.
What are the key properties of 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea?
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 322.29 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108905985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).