2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide

C17H14F3IN2O3 — CID 34321952

IUPAC2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H14F3IN2O3/c18-17(19,20)26-14-8-4-1-5-11(14)9-22-15(24)10-23-16(25)12-6-2-3-7-13(12)21/h1-8H,9-10H2,(H,22,24)(H,23,25)
InChIKeyOJJMIMIHLDRWDG-UHFFFAOYSA-N
MW478.21 g/mol
LogP3.24
Rot. Bonds6

About 2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide

2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide (PubChem CID 34321952) has the molecular formula C17H14F3IN2O3 and a molecular weight of 478.21 g/mol. Its IUPAC name is 2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide
PubChem CID34321952
Molecular FormulaC17H14F3IN2O3
Molecular Weight478.21 g/mol
Exact Mass478.00
IUPAC Name2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H14F3IN2O3/c18-17(19,20)26-14-8-4-1-5-11(14)9-22-15(24)10-23-16(25)12-6-2-3-7-13(12)21/h1-8H,9-10H2,(H,22,24)(H,23,25)
InChIKeyOJJMIMIHLDRWDG-UHFFFAOYSA-N
XLogP3.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.21
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-[[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]ethyl]furan-2-carboxamide
CID 24586582
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2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
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4-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 63309225
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 26012483
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34553843
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide (CID 34321952) is 2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1I)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide?
The InChIKey is OJJMIMIHLDRWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3IN2O3/c18-17(19,20)26-14-8-4-1-5-11(14)9-22-15(24)10-23-16(25)12-6-2-3-7-13(12)21/h1-8H,9-10H2,(H,22,24)(H,23,25).
What are the key properties of 2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide?
2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide has a molecular weight of 478.21 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 34321952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).