2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C17H15F3IN3O2 — CID 24583375

IUPAC2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CNc1ccccc1C(=O)NCC(F)(F)F)Nc1ccccc1I
InChIInChI=1S/C17H15F3IN3O2/c18-17(19,20)10-23-16(26)11-5-1-3-7-13(11)22-9-15(25)24-14-8-4-2-6-12(14)21/h1-8,22H,9-10H2,(H,23,26)(H,24,25)
InChIKeyASUHGRNUBWTYNT-UHFFFAOYSA-N
MW477.22 g/mol
LogP3.63
Rot. Bonds6

About 2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 24583375) has the molecular formula C17H15F3IN3O2 and a molecular weight of 477.22 g/mol. Its IUPAC name is 2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID24583375
Molecular FormulaC17H15F3IN3O2
Molecular Weight477.22 g/mol
Exact Mass477.02
IUPAC Name2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CNc1ccccc1C(=O)NCC(F)(F)F)Nc1ccccc1I
InChIInChI=1S/C17H15F3IN3O2/c18-17(19,20)10-23-16(26)11-5-1-3-7-13(11)22-9-15(25)24-14-8-4-2-6-12(14)21/h1-8,22H,9-10H2,(H,23,26)(H,24,25)
InChIKeyASUHGRNUBWTYNT-UHFFFAOYSA-N
XLogP3.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.22
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 42113234
N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide
CID 32987501
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 8025476
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 34757062
N-[2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55933929
2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43037378
N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide
CID 78957981
2-acetamido-N-(2-iodophenyl)acetamide
CID 60635742
2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 34756914
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 7614463
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 24583375) is 2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(CNc1ccccc1C(=O)NCC(F)(F)F)Nc1ccccc1I.
What is the InChIKey of 2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ASUHGRNUBWTYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3IN3O2/c18-17(19,20)10-23-16(26)11-5-1-3-7-13(11)22-9-15(25)24-14-8-4-2-6-12(14)21/h1-8,22H,9-10H2,(H,23,26)(H,24,25).
What are the key properties of 2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 477.22 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 24583375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).