1-cyclohexyl-3-(2-iodophenyl)-1-methylurea

C14H19IN2O — CID 108868896

IUPAC1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccccc1I)C1CCCCC1
InChIInChI=1S/C14H19IN2O/c1-17(11-7-3-2-4-8-11)14(18)16-13-10-6-5-9-12(13)15/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyJWQMIEXIDUBIQG-UHFFFAOYSA-N
MW358.22 g/mol
LogP4.09
Rot. Bonds2

About 1-cyclohexyl-3-(2-iodophenyl)-1-methylurea

1-cyclohexyl-3-(2-iodophenyl)-1-methylurea (PubChem CID 108868896) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-iodophenyl)-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
PubChem CID108868896
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC Name1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccccc1I)C1CCCCC1
InChIInChI=1S/C14H19IN2O/c1-17(11-7-3-2-4-8-11)14(18)16-13-10-6-5-9-12(13)15/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyJWQMIEXIDUBIQG-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 54.09
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

1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
CID 108868725
1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea
CID 47034829
1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea
CID 69478072
1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea
CID 16813050
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063
2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid
CID 54978431
N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide
CID 61488566
1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea
CID 107172661
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
CID 45267881

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-iodophenyl)-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-(2-iodophenyl)-1-methylurea (CID 108868896) is 1-cyclohexyl-3-(2-iodophenyl)-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-(2-iodophenyl)-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-(2-iodophenyl)-1-methylurea is CN(C(=O)Nc1ccccc1I)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-iodophenyl)-1-methylurea?
The InChIKey is JWQMIEXIDUBIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-17(11-7-3-2-4-8-11)14(18)16-13-10-6-5-9-12(13)15/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,18).
What are the key properties of 1-cyclohexyl-3-(2-iodophenyl)-1-methylurea?
1-cyclohexyl-3-(2-iodophenyl)-1-methylurea has a molecular weight of 358.22 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-iodophenyl)-1-methylurea is sourced from PubChem (CID 108868896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).