N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide

C14H7F5INO2 — CID 168652057

IUPACN-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide
SMILESO=CNc1ccc(I)cc1Oc1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C14H7F5INO2/c15-9-3-7(14(17,18)19)4-10(16)13(9)23-12-5-8(20)1-2-11(12)21-6-22/h1-6H,(H,21,22)
InChIKeyMJMIQDXJKCDMGL-UHFFFAOYSA-N
MW443.11 g/mol
LogP4.95
Rot. Bonds4

About N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide

N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide (PubChem CID 168652057) has the molecular formula C14H7F5INO2 and a molecular weight of 443.11 g/mol. Its IUPAC name is N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide.

Molecular Properties

Compound NameN-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide
PubChem CID168652057
Molecular FormulaC14H7F5INO2
Molecular Weight443.11 g/mol
Exact Mass442.94
IUPAC NameN-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide
SMILESO=CNc1ccc(I)cc1Oc1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C14H7F5INO2/c15-9-3-7(14(17,18)19)4-10(16)13(9)23-12-5-8(20)1-2-11(12)21-6-22/h1-6H,(H,21,22)
InChIKeyMJMIQDXJKCDMGL-UHFFFAOYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.11
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]formamide
CID 168651528
N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide
CID 168651705
2-cyano-N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]acetamide
CID 168523988
5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde
CID 169335837
N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide
CID 64992789
N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluorophenyl]-4-methylbenzenesulfonamide
CID 169373189
5-[[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-fluoro-4-methylanilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168540695
1,3-difluoro-2-(2-fluoro-5-isocyanatophenoxy)-5-(trifluoromethyl)benzene
CID 169355662
2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
CID 169337177
2-[[5-bromo-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]anilino]methylidene]propanedinitrile
CID 168545186
2-[[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluoroanilino]methylidene]propanedinitrile
CID 168545200
2-[[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-methoxyanilino]methylidene]propanedinitrile
CID 168545196

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide?
The IUPAC name of N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide (CID 168652057) is N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide.
What is the SMILES notation for N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide?
The canonical SMILES for N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide is O=CNc1ccc(I)cc1Oc1c(F)cc(C(F)(F)F)cc1F.
What is the InChIKey of N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide?
The InChIKey is MJMIQDXJKCDMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5INO2/c15-9-3-7(14(17,18)19)4-10(16)13(9)23-12-5-8(20)1-2-11(12)21-6-22/h1-6H,(H,21,22).
What are the key properties of N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide?
N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide has a molecular weight of 443.11 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide is sourced from PubChem (CID 168652057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).