N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide

C8H3Cl2F3INO — CID 162537552

IUPACN-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1I)C(F)(F)F
InChIInChI=1S/C8H3Cl2F3INO/c9-3-1-4(10)6(14)5(2-3)15-7(16)8(11,12)13/h1-2H,(H,15,16)
InChIKeyOSNYFVYERGIEAF-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.10
Rot. Bonds1

About N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide

N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide (PubChem CID 162537552) has the molecular formula C8H3Cl2F3INO and a molecular weight of 383.92 g/mol. Its IUPAC name is N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide
PubChem CID162537552
Molecular FormulaC8H3Cl2F3INO
Molecular Weight383.92 g/mol
Exact Mass382.86
IUPAC NameN-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1I)C(F)(F)F
InChIInChI=1S/C8H3Cl2F3INO/c9-3-1-4(10)6(14)5(2-3)15-7(16)8(11,12)13/h1-2H,(H,15,16)
InChIKeyOSNYFVYERGIEAF-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 87693092
N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 145284883
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
5-chloro-3-iodo-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 167721321
N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 162421308
N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 129147318
N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 103891250
N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide
CID 88926400
2-[(4-acetamidophenyl)carbamoyl]-2-[(E)-4-(3,5-dichloro-2-iodoanilino)pent-1-enyl]propanedioic acid
CID 152620465
N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide
CID 163133531
2,4-dichloro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 9203694

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide (CID 162537552) is N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide is O=C(Nc1cc(Cl)cc(Cl)c1I)C(F)(F)F.
What is the InChIKey of N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is OSNYFVYERGIEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F3INO/c9-3-1-4(10)6(14)5(2-3)15-7(16)8(11,12)13/h1-2H,(H,15,16).
What are the key properties of N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide?
N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 383.92 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 162537552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).