4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide

C14H9F3INO2 — CID 43034347

IUPAC4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C14H9F3INO2/c15-14(16,17)21-12-4-2-1-3-11(12)19-13(20)9-5-7-10(18)8-6-9/h1-8H,(H,19,20)
InChIKeyCQGDRAJGDQNWAY-UHFFFAOYSA-N
MW407.13 g/mol
LogP4.44
Rot. Bonds3

About 4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide

4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 43034347) has the molecular formula C14H9F3INO2 and a molecular weight of 407.13 g/mol. Its IUPAC name is 4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID43034347
Molecular FormulaC14H9F3INO2
Molecular Weight407.13 g/mol
Exact Mass406.96
IUPAC Name4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C14H9F3INO2/c15-14(16,17)21-12-4-2-1-3-11(12)19-13(20)9-5-7-10(18)8-6-9/h1-8H,(H,19,20)
InChIKeyCQGDRAJGDQNWAY-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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Related Compounds

4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 788210
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
CID 28880165
6-methyl-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 18149472
6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 35204389
4-(cyclopropylsulfamoyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203522
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203584
4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17396372

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 43034347) is 4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccccc1OC(F)(F)F)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is CQGDRAJGDQNWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3INO2/c15-14(16,17)21-12-4-2-1-3-11(12)19-13(20)9-5-7-10(18)8-6-9/h1-8H,(H,19,20).
What are the key properties of 4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide?
4-iodo-N-[2-(trifluoromethoxy)phenyl]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 4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 43034347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).