4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide

C14H9F3INO2 — CID 61400707

IUPAC4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(Oc2ccccc2I)cc1C(F)(F)F
InChIInChI=1S/C14H9F3INO2/c15-14(16,17)10-7-8(5-6-9(10)13(19)20)21-12-4-2-1-3-11(12)18/h1-7H,(H2,19,20)
InChIKeyVDRVJXIANKQDMI-UHFFFAOYSA-N
MW407.13 g/mol
LogP4.20
Rot. Bonds3

About 4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide

4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide (PubChem CID 61400707) has the molecular formula C14H9F3INO2 and a molecular weight of 407.13 g/mol. Its IUPAC name is 4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide
PubChem CID61400707
Molecular FormulaC14H9F3INO2
Molecular Weight407.13 g/mol
Exact Mass406.96
IUPAC Name4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(Oc2ccccc2I)cc1C(F)(F)F
InChIInChI=1S/C14H9F3INO2/c15-14(16,17)10-7-8(5-6-9(10)13(19)20)21-12-4-2-1-3-11(12)18/h1-7H,(H2,19,20)
InChIKeyVDRVJXIANKQDMI-UHFFFAOYSA-N
XLogP4.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.13
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxyphenoxy)-2-(trifluoromethyl)benzamide
CID 60869523
4-(3-hydroxyphenoxy)-2-(trifluoromethyl)benzamide
CID 60869148
2-amino-5-[2-(trifluoromethyl)phenoxy]benzamide
CID 61312851
4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid
CID 62703071
3-[2-(trifluoromethyl)phenoxy]benzamide
CID 133055658
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 107677517
ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone
CID 144993710
4-(2-iodophenoxy)-3-(trifluoromethyl)aniline
CID 55191480
2-fluoro-5-(2-fluorophenoxy)benzamide
CID 175987323
4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 123767237
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
chloro hypochlorite;copper;2-(trifluoromethyl)benzamide
CID 159662780

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide (CID 61400707) is 4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide is NC(=O)c1ccc(Oc2ccccc2I)cc1C(F)(F)F.
What is the InChIKey of 4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide?
The InChIKey is VDRVJXIANKQDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3INO2/c15-14(16,17)10-7-8(5-6-9(10)13(19)20)21-12-4-2-1-3-11(12)18/h1-7H,(H2,19,20).
What are the key properties of 4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide?
4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide has a molecular weight of 407.13 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 61400707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).