N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide

C14H8ClF3INO — CID 60712444

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide
SMILESO=C(Nc1c(Cl)cccc1C(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C14H8ClF3INO/c15-11-3-1-2-10(14(16,17)18)12(11)20-13(21)8-4-6-9(19)7-5-8/h1-7H,(H,20,21)
InChIKeyYGGIRRWTJSFQNM-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.22
Rot. Bonds2

About N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide (PubChem CID 60712444) has the molecular formula C14H8ClF3INO and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide
PubChem CID60712444
Molecular FormulaC14H8ClF3INO
Molecular Weight425.58 g/mol
Exact Mass424.93
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide
SMILESO=C(Nc1c(Cl)cccc1C(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C14H8ClF3INO/c15-11-3-1-2-10(14(16,17)18)12(11)20-13(21)8-4-6-9(19)7-5-8/h1-7H,(H,20,21)
InChIKeyYGGIRRWTJSFQNM-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide (CID 60712444) is N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide is O=C(Nc1c(Cl)cccc1C(F)(F)F)c1ccc(I)cc1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide?
The InChIKey is YGGIRRWTJSFQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3INO/c15-11-3-1-2-10(14(16,17)18)12(11)20-13(21)8-4-6-9(19)7-5-8/h1-7H,(H,20,21).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide has a molecular weight of 425.58 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide is sourced from PubChem (CID 60712444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).