2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide

C22H15F3INO4S — CID 149040936

IUPAC2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)Cc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccccc1I
InChIInChI=1S/C22H15F3INO4S/c23-22(24,25)32(30,31)15-7-5-6-14(12-15)13-20(28)17-9-2-4-11-19(17)27-21(29)16-8-1-3-10-18(16)26/h1-12H,13H2,(H,27,29)
InChIKeyQHOLNEBGFUJVIN-UHFFFAOYSA-N
MW573.33 g/mol
LogP5.26
Rot. Bonds6

About 2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide

2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide (PubChem CID 149040936) has the molecular formula C22H15F3INO4S and a molecular weight of 573.33 g/mol. Its IUPAC name is 2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide
PubChem CID149040936
Molecular FormulaC22H15F3INO4S
Molecular Weight573.33 g/mol
Exact Mass572.97
IUPAC Name2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)Cc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccccc1I
InChIInChI=1S/C22H15F3INO4S/c23-22(24,25)32(30,31)15-7-5-6-14(12-15)13-20(28)17-9-2-4-11-19(17)27-21(29)16-8-1-3-10-18(16)26/h1-12H,13H2,(H,27,29)
InChIKeyQHOLNEBGFUJVIN-UHFFFAOYSA-N
XLogP5.26
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.33
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966369
2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide
CID 162047234
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-1,2-oxazole-5-carboxamide
CID 152924749
2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide
CID 66968688
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide
CID 149040508
2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
CID 62535711
2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
CID 1313720
2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide
CID 157352510
2-methyl-N-[2-[2-[3-[(Z)-prop-1-enyl]phenyl]acetyl]phenyl]benzamide
CID 159369653
2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide
CID 158896086
N-[2-(aminomethyl)phenyl]-2-iodobenzamide
CID 64882136
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pentanamide
CID 149202431

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide?
The IUPAC name of 2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide (CID 149040936) is 2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide is O=C(Nc1ccccc1C(=O)Cc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide?
The InChIKey is QHOLNEBGFUJVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3INO4S/c23-22(24,25)32(30,31)15-7-5-6-14(12-15)13-20(28)17-9-2-4-11-19(17)27-21(29)16-8-1-3-10-18(16)26/h1-12H,13H2,(H,27,29).
What are the key properties of 2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide?
2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide has a molecular weight of 573.33 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide is sourced from PubChem (CID 149040936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).