1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea

C13H16FIN2O — CID 1379880

IUPAC1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea
SMILESO=C(Nc1ccc(I)cc1F)NC1CCCCC1
InChIInChI=1S/C13H16FIN2O/c14-11-8-9(15)6-7-12(11)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,16,17,18)
InChIKeyKWCZPWSBBMCSLF-UHFFFAOYSA-N
MW362.19 g/mol
LogP3.88
Rot. Bonds2

About 1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea

1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea (PubChem CID 1379880) has the molecular formula C13H16FIN2O and a molecular weight of 362.19 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea
PubChem CID1379880
Molecular FormulaC13H16FIN2O
Molecular Weight362.19 g/mol
Exact Mass362.03
IUPAC Name1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea
SMILESO=C(Nc1ccc(I)cc1F)NC1CCCCC1
InChIInChI=1S/C13H16FIN2O/c14-11-8-9(15)6-7-12(11)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,16,17,18)
InChIKeyKWCZPWSBBMCSLF-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 53.88
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

1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea
CID 113268765
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
(E)-3-chloro-N-cyclopropyl-3-(2-fluoro-4-iodoanilino)prop-2-enamide
CID 88961368
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652927
1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide
CID 47224422

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea (CID 1379880) is 1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea is O=C(Nc1ccc(I)cc1F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea?
The InChIKey is KWCZPWSBBMCSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FIN2O/c14-11-8-9(15)6-7-12(11)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea?
1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea has a molecular weight of 362.19 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea is sourced from PubChem (CID 1379880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).