N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide

C15H10ClF3INO2 — CID 55520956

IUPACN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C15H10ClF3INO2/c16-10-3-6-13(23-8-15(17,18)19)12(7-10)21-14(22)9-1-4-11(20)5-2-9/h1-7H,8H2,(H,21,22)
InChIKeyCZTCCEJCZPCVAX-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.14
Rot. Bonds4

About N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide (PubChem CID 55520956) has the molecular formula C15H10ClF3INO2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
PubChem CID55520956
Molecular FormulaC15H10ClF3INO2
Molecular Weight455.60 g/mol
Exact Mass454.94
IUPAC NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C15H10ClF3INO2/c16-10-3-6-13(23-8-15(17,18)19)12(7-10)21-14(22)9-1-4-11(20)5-2-9/h1-7H,8H2,(H,21,22)
InChIKeyCZTCCEJCZPCVAX-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.14
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

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 30473938
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 37175499
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 134027334
4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
CID 1247533
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 37175902
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134027239
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide
CID 30473926
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 37175840
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide
CID 134027238

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide?
The IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide (CID 55520956) is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide.
What is the SMILES notation for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide?
The canonical SMILES for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide is O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(I)cc1.
What is the InChIKey of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide?
The InChIKey is CZTCCEJCZPCVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3INO2/c16-10-3-6-13(23-8-15(17,18)19)12(7-10)21-14(22)9-1-4-11(20)5-2-9/h1-7H,8H2,(H,21,22).
What are the key properties of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide?
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide has a molecular weight of 455.60 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide is sourced from PubChem (CID 55520956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).