N-(4-iodophenyl)-4-(trifluoromethoxy)benzamide

C14H9F3INO2 — CID 7927254

IUPACN-(4-iodophenyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F3INO2/c15-14(16,17)21-12-7-1-9(2-8-12)13(20)19-11-5-3-10(18)4-6-11/h1-8H,(H,19,20)
InChIKeyIUHUCVXLTXIWPU-UHFFFAOYSA-N
MW407.13 g/mol
LogP4.44
Rot. Bonds3

About N-(4-iodophenyl)-4-(trifluoromethoxy)benzamide

N-(4-iodophenyl)-4-(trifluoromethoxy)benzamide (PubChem CID 7927254) has the molecular formula C14H9F3INO2 and a molecular weight of 407.13 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-(trifluoromethoxy)benzamide
PubChem CID7927254
Molecular FormulaC14H9F3INO2
Molecular Weight407.13 g/mol
Exact Mass406.96
IUPAC NameN-(4-iodophenyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F3INO2/c15-14(16,17)21-12-7-1-9(2-8-12)13(20)19-11-5-3-10(18)4-6-11/h1-8H,(H,19,20)
InChIKeyIUHUCVXLTXIWPU-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(4-iodophenyl)-4-(trifluoromethoxy)benzamide (CID 7927254) is N-(4-iodophenyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(4-iodophenyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(4-iodophenyl)-4-(trifluoromethoxy)benzamide is O=C(Nc1ccc(I)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is IUHUCVXLTXIWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3INO2/c15-14(16,17)21-12-7-1-9(2-8-12)13(20)19-11-5-3-10(18)4-6-11/h1-8H,(H,19,20).
What are the key properties of N-(4-iodophenyl)-4-(trifluoromethoxy)benzamide?
N-(4-iodophenyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 407.13 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 7927254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).