3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide

C11H11F3INO2 — CID 172647473

IUPAC3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
SMILESCOCCNC(=O)c1ccc(C(F)(F)F)c(I)c1
InChIInChI=1S/C11H11F3INO2/c1-18-5-4-16-10(17)7-2-3-8(9(15)6-7)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKeyKQEGYLKFOCOVGX-UHFFFAOYSA-N
MW373.11 g/mol
LogP2.69
Rot. Bonds4

About 3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide

3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide (PubChem CID 172647473) has the molecular formula C11H11F3INO2 and a molecular weight of 373.11 g/mol. Its IUPAC name is 3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
PubChem CID172647473
Molecular FormulaC11H11F3INO2
Molecular Weight373.11 g/mol
Exact Mass372.98
IUPAC Name3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
SMILESCOCCNC(=O)c1ccc(C(F)(F)F)c(I)c1
InChIInChI=1S/C11H11F3INO2/c1-18-5-4-16-10(17)7-2-3-8(9(15)6-7)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKeyKQEGYLKFOCOVGX-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.11
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide
CID 171361782
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide
CID 146034948
4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide
CID 81433232
4-bromo-N-(3-chloro-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243738
4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 47437380
3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide
CID 4981153
4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide
CID 104765588
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide
CID 70934716
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
2-amino-1-[3-iodo-4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 122235413

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide (CID 172647473) is 3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide is COCCNC(=O)c1ccc(C(F)(F)F)c(I)c1.
What is the InChIKey of 3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is KQEGYLKFOCOVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO2/c1-18-5-4-16-10(17)7-2-3-8(9(15)6-7)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17).
What are the key properties of 3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide?
3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 373.11 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 172647473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).