N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide

C10H9Cl4NO — CID 67575764

IUPACN-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H9Cl4NO/c1-6(16)15-9(10(12,13)14)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,15,16)
InChIKeyXQIKZBLETSELJO-UHFFFAOYSA-N
MW301.00 g/mol
LogP3.89
Rot. Bonds2

About N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide

N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 67575764) has the molecular formula C10H9Cl4NO and a molecular weight of 301.00 g/mol. Its IUPAC name is N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide
PubChem CID67575764
Molecular FormulaC10H9Cl4NO
Molecular Weight301.00 g/mol
Exact Mass298.94
IUPAC NameN-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H9Cl4NO/c1-6(16)15-9(10(12,13)14)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,15,16)
InChIKeyXQIKZBLETSELJO-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.00
LogP ≤ 53.89
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 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786
N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide
CID 143788152
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
N-[1-(4-chlorophenyl)pentyl]acetamide
CID 23652178
1-(4-chlorophenyl)-1-sulfanylpropan-2-one
CID 163571733
N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 147274817
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide
CID 10750570
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide
CID 101478082
N-[1-(3-chloro-4-fluorophenyl)-2-sulfanylpropyl]acetamide
CID 169101301
methyl (2S,3R)-2-acetamido-3-(4-chlorophenyl)-3-phenylpropanoate
CID 162402185

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide (CID 67575764) is N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide is CC(=O)NC(c1ccc(Cl)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is XQIKZBLETSELJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl4NO/c1-6(16)15-9(10(12,13)14)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,15,16).
What are the key properties of N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide?
N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 301.00 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 67575764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).