N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H11F3INO2 — CID 113368783

IUPACN-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1c(I)cccc1NC(=O)COCC(F)(F)F
InChIInChI=1S/C11H11F3INO2/c1-7-8(15)3-2-4-9(7)16-10(17)5-18-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyYAIKPVYIMHNLGN-UHFFFAOYSA-N
MW373.11 g/mol
LogP3.12
Rot. Bonds4

About N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 113368783) has the molecular formula C11H11F3INO2 and a molecular weight of 373.11 g/mol. Its IUPAC name is N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID113368783
Molecular FormulaC11H11F3INO2
Molecular Weight373.11 g/mol
Exact Mass372.98
IUPAC NameN-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1c(I)cccc1NC(=O)COCC(F)(F)F
InChIInChI=1S/C11H11F3INO2/c1-7-8(15)3-2-4-9(7)16-10(17)5-18-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyYAIKPVYIMHNLGN-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915349
N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208640
2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride
CID 103213870
N-(3-bromo-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 113230236
2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769160
N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103819467
3-[2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]phenyl]propanoic acid
CID 107272426
N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208586
N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide
CID 130166556
7-amino-N-(3-iodo-2-methylphenyl)heptanamide
CID 114257248
N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208716
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 55763297

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 113368783) is N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is Cc1c(I)cccc1NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YAIKPVYIMHNLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO2/c1-7-8(15)3-2-4-9(7)16-10(17)5-18-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 373.11 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 113368783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).