1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea

C20H21F2IN2O2 — CID 59168750

IUPAC1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea
SMILESO=C(Nc1cccc(I)c1)NC1CCC(OCc2c(F)cccc2F)CC1
InChIInChI=1S/C20H21F2IN2O2/c21-18-5-2-6-19(22)17(18)12-27-16-9-7-14(8-10-16)24-20(26)25-15-4-1-3-13(23)11-15/h1-6,11,14,16H,7-10,12H2,(H2,24,25,26)
InChIKeyYBFIAOPDIWLAIR-UHFFFAOYSA-N
MW486.30 g/mol
LogP5.22
Rot. Bonds5

About 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea

1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea (PubChem CID 59168750) has the molecular formula C20H21F2IN2O2 and a molecular weight of 486.30 g/mol. Its IUPAC name is 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea.

Molecular Properties

Compound Name1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea
PubChem CID59168750
Molecular FormulaC20H21F2IN2O2
Molecular Weight486.30 g/mol
Exact Mass486.06
IUPAC Name1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea
SMILESO=C(Nc1cccc(I)c1)NC1CCC(OCc2c(F)cccc2F)CC1
InChIInChI=1S/C20H21F2IN2O2/c21-18-5-2-6-19(22)17(18)12-27-16-9-7-14(8-10-16)24-20(26)25-15-4-1-3-13(23)11-15/h1-6,11,14,16H,7-10,12H2,(H2,24,25,26)
InChIKeyYBFIAOPDIWLAIR-UHFFFAOYSA-N
XLogP5.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.30
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea
CID 59168591
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea
CID 59168731
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea
CID 61030345
N-cyclopropyl-2-(3-iodoanilino)acetamide
CID 28829963
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea
CID 59168710
1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110900571

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea?
The IUPAC name of 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea (CID 59168750) is 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea.
What is the SMILES notation for 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea?
The canonical SMILES for 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea is O=C(Nc1cccc(I)c1)NC1CCC(OCc2c(F)cccc2F)CC1.
What is the InChIKey of 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea?
The InChIKey is YBFIAOPDIWLAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2IN2O2/c21-18-5-2-6-19(22)17(18)12-27-16-9-7-14(8-10-16)24-20(26)25-15-4-1-3-13(23)11-15/h1-6,11,14,16H,7-10,12H2,(H2,24,25,26).
What are the key properties of 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea?
1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea has a molecular weight of 486.30 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea is sourced from PubChem (CID 59168750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).