3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea

C16H17IN2O — CID 47258233

IUPAC3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H17IN2O/c1-19(12-11-13-5-3-2-4-6-13)16(20)18-15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyLUOFLYYVBYLJNO-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.00
Rot. Bonds4

About 3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea

3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea (PubChem CID 47258233) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is 3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
PubChem CID47258233
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC Name3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H17IN2O/c1-19(12-11-13-5-3-2-4-6-13)16(20)18-15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyLUOFLYYVBYLJNO-UHFFFAOYSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 3596842
3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324452
3-(4-iodophenyl)-1-methyl-1-pentylurea
CID 3866237
1-(2,2-diethoxyethyl)-3-(4-iodophenyl)-1-(2-phenylethyl)urea
CID 3779879
methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate
CID 47039832
3-(5,5-dioxodibenzothiophen-2-yl)-1-methyl-1-(2-phenylethyl)urea
CID 10157350
1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220
N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide
CID 55702135
methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
CID 23734523
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea
CID 112825014

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea?
The IUPAC name of 3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea (CID 47258233) is 3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea?
The canonical SMILES for 3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea is CN(CCc1ccccc1)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea?
The InChIKey is LUOFLYYVBYLJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-19(12-11-13-5-3-2-4-6-13)16(20)18-15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of 3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea?
3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea has a molecular weight of 380.23 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea is sourced from PubChem (CID 47258233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).