[2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate

C17H13F3INO3 — CID 55307467

IUPAC[2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1I)OCc1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3INO3/c18-17(19,20)13-7-3-1-5-11(13)10-25-15(23)9-22-16(24)12-6-2-4-8-14(12)21/h1-8H,9-10H2,(H,22,24)
InChIKeyGKQYPLBUMMYVNK-UHFFFAOYSA-N
MW463.19 g/mol
LogP3.78
Rot. Bonds5

About [2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate

[2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate (PubChem CID 55307467) has the molecular formula C17H13F3INO3 and a molecular weight of 463.19 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate
PubChem CID55307467
Molecular FormulaC17H13F3INO3
Molecular Weight463.19 g/mol
Exact Mass462.99
IUPAC Name[2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1I)OCc1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3INO3/c18-17(19,20)13-7-3-1-5-11(13)10-25-15(23)9-22-16(24)12-6-2-4-8-14(12)21/h1-8H,9-10H2,(H,22,24)
InChIKeyGKQYPLBUMMYVNK-UHFFFAOYSA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.19
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 60738967
[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807869
(4-bromophenyl)methyl 2-[(2-iodobenzoyl)amino]acetate
CID 55307422
bis[[2-(trifluoromethyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 91754080
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate
CID 7229283
(2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate
CID 55307473
2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide
CID 34321952
heptyl 2-[[2-(trifluoromethyl)benzoyl]amino]acetate
CID 6424754
N-(3-amino-2,2-difluoropropyl)-2-iodobenzamide
CID 114383668
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
[2-(trifluoromethyl)phenyl]methyl 2,2-dimethylpropanoate
CID 102335909
naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate
CID 926068

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate?
The IUPAC name of [2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate (CID 55307467) is [2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate.
What is the SMILES notation for [2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate?
The canonical SMILES for [2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1I)OCc1ccccc1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate?
The InChIKey is GKQYPLBUMMYVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3INO3/c18-17(19,20)13-7-3-1-5-11(13)10-25-15(23)9-22-16(24)12-6-2-4-8-14(12)21/h1-8H,9-10H2,(H,22,24).
What are the key properties of [2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate?
[2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate has a molecular weight of 463.19 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate is sourced from PubChem (CID 55307467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).