1,3-bis(4-iodophenyl)-1,3-dimethylurea

C15H14I2N2O — CID 101347516

IUPAC1,3-bis(4-iodophenyl)-1,3-dimethylurea
SMILESCN(C(=O)N(C)c1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C15H14I2N2O/c1-18(13-7-3-11(16)4-8-13)15(20)19(2)14-9-5-12(17)6-10-14/h3-10H,1-2H3
InChIKeyMPOYGJHODDVOHW-UHFFFAOYSA-N
MW492.10 g/mol
LogP4.59
Rot. Bonds2

About 1,3-bis(4-iodophenyl)-1,3-dimethylurea

1,3-bis(4-iodophenyl)-1,3-dimethylurea (PubChem CID 101347516) has the molecular formula C15H14I2N2O and a molecular weight of 492.10 g/mol. Its IUPAC name is 1,3-bis(4-iodophenyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1,3-bis(4-iodophenyl)-1,3-dimethylurea
PubChem CID101347516
Molecular FormulaC15H14I2N2O
Molecular Weight492.10 g/mol
Exact Mass491.92
IUPAC Name1,3-bis(4-iodophenyl)-1,3-dimethylurea
SMILESCN(C(=O)N(C)c1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C15H14I2N2O/c1-18(13-7-3-11(16)4-8-13)15(20)19(2)14-9-5-12(17)6-10-14/h3-10H,1-2H3
InChIKeyMPOYGJHODDVOHW-UHFFFAOYSA-N
XLogP4.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.10
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-iodophenyl)-N,N'-dimethylacetohydrazide
CID 66998219
1,3-bis[4-(bromomethyl)phenyl]-1,3-dimethylurea
CID 23199604
4-iodo-N-methyl-N-oxidoaniline
CID 163883000
1-ethyl-3-(4-hydroxyphenyl)-1,3-dimethylurea
CID 79159272
[(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid
CID 70531059
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
1,3-dimethyl-1-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-3-phenylurea
CID 121485750
1,3-dimethyl-1-phenyl-3-sulfanylurea
CID 88793984
N-(4-hydroxyphenyl)-3-iodo-N-methylbenzamide
CID 28887982
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803
N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91720800
Se-(4-iodophenyl) ethaneselenoate
CID 10782266

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-iodophenyl)-1,3-dimethylurea?
The IUPAC name of 1,3-bis(4-iodophenyl)-1,3-dimethylurea (CID 101347516) is 1,3-bis(4-iodophenyl)-1,3-dimethylurea.
What is the SMILES notation for 1,3-bis(4-iodophenyl)-1,3-dimethylurea?
The canonical SMILES for 1,3-bis(4-iodophenyl)-1,3-dimethylurea is CN(C(=O)N(C)c1ccc(I)cc1)c1ccc(I)cc1.
What is the InChIKey of 1,3-bis(4-iodophenyl)-1,3-dimethylurea?
The InChIKey is MPOYGJHODDVOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14I2N2O/c1-18(13-7-3-11(16)4-8-13)15(20)19(2)14-9-5-12(17)6-10-14/h3-10H,1-2H3.
What are the key properties of 1,3-bis(4-iodophenyl)-1,3-dimethylurea?
1,3-bis(4-iodophenyl)-1,3-dimethylurea has a molecular weight of 492.10 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-iodophenyl)-1,3-dimethylurea is sourced from PubChem (CID 101347516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).