2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide

C8H4Cl5NO — CID 4278652

IUPAC2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H4Cl5NO/c9-4-1-5(10)3-6(2-4)14-7(15)8(11,12)13/h1-3H,(H,14,15)
InChIKeyPAJDRXDZAGNFDG-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.30
Rot. Bonds1

About 2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide

2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide (PubChem CID 4278652) has the molecular formula C8H4Cl5NO and a molecular weight of 307.39 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide
PubChem CID4278652
Molecular FormulaC8H4Cl5NO
Molecular Weight307.39 g/mol
Exact Mass304.87
IUPAC Name2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H4Cl5NO/c9-4-1-5(10)3-6(2-4)14-7(15)8(11,12)13/h1-3H,(H,14,15)
InChIKeyPAJDRXDZAGNFDG-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate
CID 156838798
N-[(3,5-dichlorophenyl)carbamoyl]sulfamoyl chloride
CID 151962445
2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
CID 13475373
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide
CID 4862754
N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958898
N-(3,5-dichlorophenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76919932
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439
N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959609
N'-(3,5-dichlorophenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502099
1-cyano-3-(3,5-dichlorophenyl)urea
CID 107654843

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide (CID 4278652) is 2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide is O=C(Nc1cc(Cl)cc(Cl)c1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is PAJDRXDZAGNFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl5NO/c9-4-1-5(10)3-6(2-4)14-7(15)8(11,12)13/h1-3H,(H,14,15).
What are the key properties of 2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide?
2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 307.39 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 4278652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).