1-cyclohexyl-3-(4-iodophenyl)urea

C13H17IN2O — CID 4357

IUPAC1-cyclohexyl-3-(4-iodophenyl)urea
SMILESO=C(Nc1ccc(I)cc1)NC1CCCCC1
InChIInChI=1S/C13H17IN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)
InChIKeyAQTBUVAFYDVTFD-UHFFFAOYSA-N
MW344.20 g/mol
LogP3.75
Rot. Bonds2

About 1-cyclohexyl-3-(4-iodophenyl)urea

1-cyclohexyl-3-(4-iodophenyl)urea (PubChem CID 4357) has the molecular formula C13H17IN2O and a molecular weight of 344.20 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-iodophenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-iodophenyl)urea
PubChem CID4357
Molecular FormulaC13H17IN2O
Molecular Weight344.20 g/mol
Exact Mass344.04
IUPAC Name1-cyclohexyl-3-(4-iodophenyl)urea
SMILESO=C(Nc1ccc(I)cc1)NC1CCCCC1
InChIInChI=1S/C13H17IN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)
InChIKeyAQTBUVAFYDVTFD-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.75
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

Siduron
CID 16116
Carbanilide
CID 7595
Fenuron
CID 7560
Phenylurea
CID 6145
Centralite
CID 6828
Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
N-Methyl-N',N'-diphenylurea
CID 25711
1-Methyl-3-phenylurea
CID 13880
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
1,3-Dimethyl-1,3-diphenylurea
CID 11917
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320
N-Cyclopentyl-N'-phenylurea
CID 25740

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-iodophenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-iodophenyl)urea (CID 4357) is 1-cyclohexyl-3-(4-iodophenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-iodophenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-iodophenyl)urea is O=C(Nc1ccc(I)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-iodophenyl)urea?
The InChIKey is AQTBUVAFYDVTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(4-iodophenyl)urea?
1-cyclohexyl-3-(4-iodophenyl)urea has a molecular weight of 344.20 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-iodophenyl)urea is sourced from PubChem (CID 4357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).