N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide

C9H6ClF3INO — CID 166140537

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
SMILESO=C(CI)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H6ClF3INO/c10-6-3-5(9(11,12)13)1-2-7(6)15-8(16)4-14/h1-3H,4H2,(H,15,16)
InChIKeyORZRGZCXVQOFJF-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.73
Rot. Bonds2

About N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide

N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide (PubChem CID 166140537) has the molecular formula C9H6ClF3INO and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
PubChem CID166140537
Molecular FormulaC9H6ClF3INO
Molecular Weight363.50 g/mol
Exact Mass362.91
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
SMILESO=C(CI)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H6ClF3INO/c10-6-3-5(9(11,12)13)1-2-7(6)15-8(16)4-14/h1-3H,4H2,(H,15,16)
InChIKeyORZRGZCXVQOFJF-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
CID 60723512
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273
2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 63669317
N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide
CID 62838644
N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide
CID 172629368
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8909162
2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide
CID 139521347
2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 62799070
2-carbamothioyl-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
CID 63669300

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide (CID 166140537) is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide is O=C(CI)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide?
The InChIKey is ORZRGZCXVQOFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3INO/c10-6-3-5(9(11,12)13)1-2-7(6)15-8(16)4-14/h1-3H,4H2,(H,15,16).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide has a molecular weight of 363.50 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide is sourced from PubChem (CID 166140537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).