1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea

C22H26I2N4O2 — CID 170908270

IUPAC1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea
SMILESCC1(C)C(CNC(=O)Nc2ccccc2I)CC1CNC(=O)Nc1ccccc1I
InChIInChI=1S/C22H26I2N4O2/c1-22(2)14(12-25-20(29)27-18-9-5-3-7-16(18)23)11-15(22)13-26-21(30)28-19-10-6-4-8-17(19)24/h3-10,14-15H,11-13H2,1-2H3,(H2,25,27,29)(H2,26,28,30)
InChIKeyIPJYISAXPMTWMD-UHFFFAOYSA-N
MW632.28 g/mol
LogP5.50
Rot. Bonds6

About 1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea

1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea (PubChem CID 170908270) has the molecular formula C22H26I2N4O2 and a molecular weight of 632.28 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea
PubChem CID170908270
Molecular FormulaC22H26I2N4O2
Molecular Weight632.28 g/mol
Exact Mass632.01
IUPAC Name1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea
SMILESCC1(C)C(CNC(=O)Nc2ccccc2I)CC1CNC(=O)Nc1ccccc1I
InChIInChI=1S/C22H26I2N4O2/c1-22(2)14(12-25-20(29)27-18-9-5-3-7-16(18)23)11-15(22)13-26-21(30)28-19-10-6-4-8-17(19)24/h3-10,14-15H,11-13H2,1-2H3,(H2,25,27,29)(H2,26,28,30)
InChIKeyIPJYISAXPMTWMD-UHFFFAOYSA-N
XLogP5.50
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.28
LogP ≤ 55.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea?
The IUPAC name of 1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea (CID 170908270) is 1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea.
What is the SMILES notation for 1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea?
The canonical SMILES for 1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea is CC1(C)C(CNC(=O)Nc2ccccc2I)CC1CNC(=O)Nc1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea?
The InChIKey is IPJYISAXPMTWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26I2N4O2/c1-22(2)14(12-25-20(29)27-18-9-5-3-7-16(18)23)11-15(22)13-26-21(30)28-19-10-6-4-8-17(19)24/h3-10,14-15H,11-13H2,1-2H3,(H2,25,27,29)(H2,26,28,30).
What are the key properties of 1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea?
1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea has a molecular weight of 632.28 g/mol, XLogP of 5.50, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea is sourced from PubChem (CID 170908270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).