1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea

C19H20FIN2O2 — CID 59168731

IUPAC1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea
SMILESO=C(Nc1cccc(I)c1)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FIN2O2/c20-13-4-8-17(9-5-13)25-18-10-6-15(7-11-18)22-19(24)23-16-3-1-2-14(21)12-16/h1-5,8-9,12,15,18H,6-7,10-11H2,(H2,22,23,24)
InChIKeyQYSGZBAEAZOGLD-UHFFFAOYSA-N
MW454.28 g/mol
LogP4.94
Rot. Bonds4

About 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea

1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea (PubChem CID 59168731) has the molecular formula C19H20FIN2O2 and a molecular weight of 454.28 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea
PubChem CID59168731
Molecular FormulaC19H20FIN2O2
Molecular Weight454.28 g/mol
Exact Mass454.06
IUPAC Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea
SMILESO=C(Nc1cccc(I)c1)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FIN2O2/c20-13-4-8-17(9-5-13)25-18-10-6-15(7-11-18)22-19(24)23-16-3-1-2-14(21)12-16/h1-5,8-9,12,15,18H,6-7,10-11H2,(H2,22,23,24)
InChIKeyQYSGZBAEAZOGLD-UHFFFAOYSA-N
XLogP4.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.28
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea
CID 59168710
1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-fluorophenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 162127990
1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea
CID 59168750
1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 11610101
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea
CID 11709895
1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 122660584
1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 158421344
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
CID 90634951
1-[(1S,3S)-3-[4-(1,1-difluoroethyl)phenoxy]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 156724550
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea?
The IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea (CID 59168731) is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea?
The canonical SMILES for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea is O=C(Nc1cccc(I)c1)NC1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea?
The InChIKey is QYSGZBAEAZOGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FIN2O2/c20-13-4-8-17(9-5-13)25-18-10-6-15(7-11-18)22-19(24)23-16-3-1-2-14(21)12-16/h1-5,8-9,12,15,18H,6-7,10-11H2,(H2,22,23,24).
What are the key properties of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea?
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea has a molecular weight of 454.28 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea is sourced from PubChem (CID 59168731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).