1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea

C15H15IN2O3 — CID 2209592

IUPAC1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(I)cc2)c(OC)c1
InChIInChI=1S/C15H15IN2O3/c1-20-12-7-8-13(14(9-12)21-2)18-15(19)17-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyJVPTXHMISXQOTJ-UHFFFAOYSA-N
MW398.20 g/mol
LogP3.95
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea

1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea (PubChem CID 2209592) has the molecular formula C15H15IN2O3 and a molecular weight of 398.20 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
PubChem CID2209592
Molecular FormulaC15H15IN2O3
Molecular Weight398.20 g/mol
Exact Mass398.01
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(I)cc2)c(OC)c1
InChIInChI=1S/C15H15IN2O3/c1-20-12-7-8-13(14(9-12)21-2)18-15(19)17-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyJVPTXHMISXQOTJ-UHFFFAOYSA-N
XLogP3.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide
CID 108523939
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865595
1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 969986
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea
CID 90595543
1-cyano-3-(2,4-dimethoxyphenyl)urea
CID 20559814
1-(2,4-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992686
1-(2,4-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375576
1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea
CID 11988328
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea (CID 2209592) is 1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea is COc1ccc(NC(=O)Nc2ccc(I)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea?
The InChIKey is JVPTXHMISXQOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O3/c1-20-12-7-8-13(14(9-12)21-2)18-15(19)17-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea?
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea has a molecular weight of 398.20 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea is sourced from PubChem (CID 2209592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).