1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea

C15H15IN2O — CID 108869034

IUPAC1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccccc2I)c1
InChIInChI=1S/C15H15IN2O/c1-10-7-11(2)9-12(8-10)17-15(19)18-14-6-4-3-5-13(14)16/h3-9H,1-2H3,(H2,17,18,19)
InChIKeySTJZTTVAPWBCMJ-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.55
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea

1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea (PubChem CID 108869034) has the molecular formula C15H15IN2O and a molecular weight of 366.20 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea
PubChem CID108869034
Molecular FormulaC15H15IN2O
Molecular Weight366.20 g/mol
Exact Mass366.02
IUPAC Name1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccccc2I)c1
InChIInChI=1S/C15H15IN2O/c1-10-7-11(2)9-12(8-10)17-15(19)18-14-6-4-3-5-13(14)16/h3-9H,1-2H3,(H2,17,18,19)
InChIKeySTJZTTVAPWBCMJ-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 108991353
N-(2-iodophenyl)-3,5-dimethylbenzamide
CID 2118558
1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea
CID 17279836
1-(2-iodophenyl)-3-pyridin-4-ylurea
CID 3370542
1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea
CID 108868918
methyl 3-[(2-iodophenyl)carbamoylamino]benzoate
CID 108869084
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea
CID 108869101
2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid
CID 61186270
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 61185205
1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
CID 68630610

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea (CID 108869034) is 1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea is Cc1cc(C)cc(NC(=O)Nc2ccccc2I)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea?
The InChIKey is STJZTTVAPWBCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O/c1-10-7-11(2)9-12(8-10)17-15(19)18-14-6-4-3-5-13(14)16/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea?
1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea has a molecular weight of 366.20 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea is sourced from PubChem (CID 108869034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).