1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea

C15H11F4IN2O2 — CID 171063040

IUPAC1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1c(F)cccc1I
InChIInChI=1S/C15H11F4IN2O2/c1-24-12-6-5-8(15(17,18)19)7-11(12)21-14(23)22-13-9(16)3-2-4-10(13)20/h2-7H,1H3,(H2,21,22,23)
InChIKeyVFKMIIBCCVLMMY-UHFFFAOYSA-N
MW454.16 g/mol
LogP5.10
Rot. Bonds3

About 1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea

1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea (PubChem CID 171063040) has the molecular formula C15H11F4IN2O2 and a molecular weight of 454.16 g/mol. Its IUPAC name is 1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
PubChem CID171063040
Molecular FormulaC15H11F4IN2O2
Molecular Weight454.16 g/mol
Exact Mass453.98
IUPAC Name1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1c(F)cccc1I
InChIInChI=1S/C15H11F4IN2O2/c1-24-12-6-5-8(15(17,18)19)7-11(12)21-14(23)22-13-9(16)3-2-4-10(13)20/h2-7H,1H3,(H2,21,22,23)
InChIKeyVFKMIIBCCVLMMY-UHFFFAOYSA-N
XLogP5.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.16
LogP ≤ 55.10
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

3-[3-fluoro-2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]prop-2-enoic acid
CID 69081740
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053
1-(2-bromothiophen-3-yl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 138720410
1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane
CID 143368571
methyl (E)-3-[3-fluoro-2-[[2-(2-iminoethenoxy)-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]prop-2-enoate
CID 176532902
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147363
[2-methoxy-5-(trifluoromethyl)phenyl]thiourea
CID 75176632
1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216737
3-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 20604816

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea (CID 171063040) is 1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea is COc1ccc(C(F)(F)F)cc1NC(=O)Nc1c(F)cccc1I.
What is the InChIKey of 1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea?
The InChIKey is VFKMIIBCCVLMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4IN2O2/c1-24-12-6-5-8(15(17,18)19)7-11(12)21-14(23)22-13-9(16)3-2-4-10(13)20/h2-7H,1H3,(H2,21,22,23).
What are the key properties of 1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea?
1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea has a molecular weight of 454.16 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 171063040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).