2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide

C11H12Cl3NO — CID 533177

IUPAC2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)C(Cl)(Cl)Cl)c1cccc(C)c1
InChIInChI=1S/C11H12Cl3NO/c1-3-15(10(16)11(12,13)14)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKeyDEQXVMATOARFGZ-UHFFFAOYSA-N
MW280.58 g/mol
LogP3.72
Rot. Bonds2

About 2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide

2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 533177) has the molecular formula C11H12Cl3NO and a molecular weight of 280.58 g/mol. Its IUPAC name is 2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID533177
Molecular FormulaC11H12Cl3NO
Molecular Weight280.58 g/mol
Exact Mass279.00
IUPAC Name2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)C(Cl)(Cl)Cl)c1cccc(C)c1
InChIInChI=1S/C11H12Cl3NO/c1-3-15(10(16)11(12,13)14)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKeyDEQXVMATOARFGZ-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.58
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957363
N-(4-chlorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969024
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide
CID 22690792
N-ethyl-2-methyl-N-(3-methylphenyl)-2-piperidin-3-ylpropanamide
CID 83198721
3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108961312
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967
N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967923

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide (CID 533177) is 2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)C(Cl)(Cl)Cl)c1cccc(C)c1.
What is the InChIKey of 2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is DEQXVMATOARFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO/c1-3-15(10(16)11(12,13)14)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3.
What are the key properties of 2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide?
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 280.58 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 533177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).