1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea

C16H15IN2O — CID 108903190

IUPAC1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea
SMILESCc1cc(I)ccc1NC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C16H15IN2O/c1-12-11-14(17)7-8-15(12)19-16(20)18-10-9-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,20)/b10-9+
InChIKeyZVSCYTIWDHJQNI-MDZDMXLPSA-N
MW378.21 g/mol
LogP4.39
Rot. Bonds3

About 1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea

1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea (PubChem CID 108903190) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is 1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea.

Molecular Properties

Compound Name1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea
PubChem CID108903190
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC Name1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea
SMILESCc1cc(I)ccc1NC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C16H15IN2O/c1-12-11-14(17)7-8-15(12)19-16(20)18-10-9-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,20)/b10-9+
InChIKeyZVSCYTIWDHJQNI-MDZDMXLPSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]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-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903091
1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea
CID 47186088
N-(2-phenylethenylcarbamoyl)formamide
CID 174605369
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea
CID 174580380
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
2-phenylethenylcarbamic acid
CID 151881054
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108905003
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108904260
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(E)-2-phenylethenyl]urea
CID 108903352
N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 43425771

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea?
The IUPAC name of 1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea (CID 108903190) is 1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea.
What is the SMILES notation for 1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea?
The canonical SMILES for 1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea is Cc1cc(I)ccc1NC(=O)N/C=C/c1ccccc1.
What is the InChIKey of 1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea?
The InChIKey is ZVSCYTIWDHJQNI-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H15IN2O/c1-12-11-14(17)7-8-15(12)19-16(20)18-10-9-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,20)/b10-9+.
What are the key properties of 1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea?
1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea has a molecular weight of 378.21 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea is sourced from PubChem (CID 108903190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).