N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide

C8H4ClF3INO — CID 87693092

IUPACN-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(Cl)ccc1I)C(F)(F)F
InChIInChI=1S/C8H4ClF3INO/c9-4-1-2-5(13)6(3-4)14-7(15)8(10,11)12/h1-3H,(H,14,15)
InChIKeyHCAJAQUMJOSQSQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.45
Rot. Bonds1

About N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide

N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide (PubChem CID 87693092) has the molecular formula C8H4ClF3INO and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
PubChem CID87693092
Molecular FormulaC8H4ClF3INO
Molecular Weight349.48 g/mol
Exact Mass348.90
IUPAC NameN-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(Cl)ccc1I)C(F)(F)F
InChIInChI=1S/C8H4ClF3INO/c9-4-1-2-5(13)6(3-4)14-7(15)8(10,11)12/h1-3H,(H,14,15)
InChIKeyHCAJAQUMJOSQSQ-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.45
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

N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 162537552
methyl 4-iodo-3-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 11845889
N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103766915
N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide
CID 163133531
ethyl N-(5-chloro-2-iodophenyl)carbamate
CID 22490681
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939
N-[4-chloro-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 91725178
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107625511
2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide
CID 15953168
5-chloro-3-iodo-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 167721321

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide (CID 87693092) is N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide is O=C(Nc1cc(Cl)ccc1I)C(F)(F)F.
What is the InChIKey of N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is HCAJAQUMJOSQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3INO/c9-4-1-2-5(13)6(3-4)14-7(15)8(10,11)12/h1-3H,(H,14,15).
What are the key properties of N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide?
N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 349.48 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87693092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).