N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide

C8H6ClF5INOS — CID 172629368

IUPACN-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide
SMILESO=C(CI)Nc1ccc(S(F)(F)(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF5INOS/c9-6-3-5(18(10,11,12,13)14)1-2-7(6)16-8(17)4-15/h1-3H,4H2,(H,16,17)
InChIKeyOGTMUFIBSYZMNL-UHFFFAOYSA-N
MW421.56 g/mol
LogP5.37
Rot. Bonds3

About N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide

N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide (PubChem CID 172629368) has the molecular formula C8H6ClF5INOS and a molecular weight of 421.56 g/mol. Its IUPAC name is N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide
PubChem CID172629368
Molecular FormulaC8H6ClF5INOS
Molecular Weight421.56 g/mol
Exact Mass420.88
IUPAC NameN-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide
SMILESO=C(CI)Nc1ccc(S(F)(F)(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF5INOS/c9-6-3-5(18(10,11,12,13)14)1-2-7(6)16-8(17)4-15/h1-3H,4H2,(H,16,17)
InChIKeyOGTMUFIBSYZMNL-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 55.37
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

N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
N-(2,4-dichlorophenyl)-2-isocyanoacetamide
CID 108814659
N-(2,4-dichlorophenyl)propanamide
CID 923083
2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
CID 4608777
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 1371739
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
CID 61287457
3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid
CID 70643359
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide?
The IUPAC name of N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide (CID 172629368) is N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide.
What is the SMILES notation for N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide?
The canonical SMILES for N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide is O=C(CI)Nc1ccc(S(F)(F)(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide?
The InChIKey is OGTMUFIBSYZMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5INOS/c9-6-3-5(18(10,11,12,13)14)1-2-7(6)16-8(17)4-15/h1-3H,4H2,(H,16,17).
What are the key properties of N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide?
N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide has a molecular weight of 421.56 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-2-iodoacetamide is sourced from PubChem (CID 172629368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).