N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide

C14H8ClF3INO — CID 1221652

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(I)cc1
InChIInChI=1S/C14H8ClF3INO/c15-12-6-5-10(7-11(12)14(16,17)18)20-13(21)8-1-3-9(19)4-2-8/h1-7H,(H,20,21)
InChIKeyCSGZGROUTXMWHP-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.22
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide (PubChem CID 1221652) has the molecular formula C14H8ClF3INO and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
PubChem CID1221652
Molecular FormulaC14H8ClF3INO
Molecular Weight425.58 g/mol
Exact Mass424.93
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(I)cc1
InChIInChI=1S/C14H8ClF3INO/c15-12-6-5-10(7-11(12)14(16,17)18)20-13(21)8-1-3-9(19)4-2-8/h1-7H,(H,20,21)
InChIKeyCSGZGROUTXMWHP-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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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 1254888
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
CID 39899500
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(tetrazolidin-5-yl)benzamide
CID 73390436
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703046
4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 43922202
4-chloro-N-(3-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 154268338
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314975
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 60712444
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24532097

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide (CID 1221652) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(I)cc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide?
The InChIKey is CSGZGROUTXMWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3INO/c15-12-6-5-10(7-11(12)14(16,17)18)20-13(21)8-1-3-9(19)4-2-8/h1-7H,(H,20,21).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide?
N-[4-chloro-3-(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-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide is sourced from PubChem (CID 1221652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).