2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

C15H11F3INO — CID 60738967

IUPAC2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccccc1I
InChIInChI=1S/C15H11F3INO/c16-15(17,18)12-7-3-1-5-10(12)9-20-14(21)11-6-2-4-8-13(11)19/h1-8H,9H2,(H,20,21)
InChIKeyPFMTUSSXETYIAT-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.24
Rot. Bonds3

About 2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 60738967) has the molecular formula C15H11F3INO and a molecular weight of 405.16 g/mol. Its IUPAC name is 2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID60738967
Molecular FormulaC15H11F3INO
Molecular Weight405.16 g/mol
Exact Mass404.98
IUPAC Name2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccccc1I
InChIInChI=1S/C15H11F3INO/c16-15(17,18)12-7-3-1-5-10(12)9-20-14(21)11-6-2-4-8-13(11)19/h1-8H,9H2,(H,20,21)
InChIKeyPFMTUSSXETYIAT-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.24
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

[2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate
CID 55307467
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
3-amino-1-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 169110325
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
3-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 62879274
2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide
CID 34321952
2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
CID 46592497
2-fluoro-N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide;oxalic acid
CID 163327851
N-(3-amino-2,2-difluoropropyl)-2-iodobenzamide
CID 114383668
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 60738967) is 2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1C(F)(F)F)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is PFMTUSSXETYIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3INO/c16-15(17,18)12-7-3-1-5-10(12)9-20-14(21)11-6-2-4-8-13(11)19/h1-8H,9H2,(H,20,21).
What are the key properties of 2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 405.16 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 60738967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).