2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide

C12H12Cl3NO — CID 101456073

IUPAC2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide
SMILESC=C(C)c1ccccc1N(C)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C12H12Cl3NO/c1-8(2)9-6-4-5-7-10(9)16(3)11(17)12(13,14)15/h4-7H,1H2,2-3H3
InChIKeyWTAHAODYUYMQNZ-UHFFFAOYSA-N
MW292.59 g/mol
LogP4.05
Rot. Bonds2

About 2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide

2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide (PubChem CID 101456073) has the molecular formula C12H12Cl3NO and a molecular weight of 292.59 g/mol. Its IUPAC name is 2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide
PubChem CID101456073
Molecular FormulaC12H12Cl3NO
Molecular Weight292.59 g/mol
Exact Mass291.00
IUPAC Name2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide
SMILESC=C(C)c1ccccc1N(C)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C12H12Cl3NO/c1-8(2)9-6-4-5-7-10(9)16(3)11(17)12(13,14)15/h4-7H,1H2,2-3H3
InChIKeyWTAHAODYUYMQNZ-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.59
LogP ≤ 54.05
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

1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide
CID 102402426
1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone
CID 137482788
2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone
CID 131615680
2-[2,2-dimethylbutanoyl(methyl)amino]benzoic acid
CID 55102859
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[methyl-[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
CID 113498695
2-(dimethylamino)benzoic acid;2-methylprop-2-enoic acid
CID 146636076
N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide
CID 11831267
lithium 2-prop-1-en-2-ylbenzoate
CID 102161119
2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide
CID 162535694

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide (CID 101456073) is 2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide is C=C(C)c1ccccc1N(C)C(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide?
The InChIKey is WTAHAODYUYMQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3NO/c1-8(2)9-6-4-5-7-10(9)16(3)11(17)12(13,14)15/h4-7H,1H2,2-3H3.
What are the key properties of 2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide?
2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide has a molecular weight of 292.59 g/mol, XLogP of 4.05, 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-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide is sourced from PubChem (CID 101456073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).