N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide

C12H15Cl3N2O — CID 2843650

IUPACN-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide
SMILESCC(=O)NC(N(C)Cc1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C12H15Cl3N2O/c1-9(18)16-11(12(13,14)15)17(2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,16,18)
InChIKeyUAYQNAITJUZJCZ-UHFFFAOYSA-N
MW309.62 g/mol
LogP2.95
Rot. Bonds4

About N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide

N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide (PubChem CID 2843650) has the molecular formula C12H15Cl3N2O and a molecular weight of 309.62 g/mol. Its IUPAC name is N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide.

Molecular Properties

Compound NameN-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide
PubChem CID2843650
Molecular FormulaC12H15Cl3N2O
Molecular Weight309.62 g/mol
Exact Mass308.02
IUPAC NameN-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide
SMILESCC(=O)NC(N(C)Cc1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C12H15Cl3N2O/c1-9(18)16-11(12(13,14)15)17(2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,16,18)
InChIKeyUAYQNAITJUZJCZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide
CID 1159803
2,2-dimethyl-N-[2,2,2-trichloro-1-(dibenzylamino)ethyl]propanamide
CID 2829847
N'-acetyl-N'-benzylacetohydrazide
CID 23198251
2-[benzyl(methyl)amino]but-3-enoic acid
CID 130492243
(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid
CID 119369701
2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide
CID 138115557
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide
CID 90765591
(2S)-2-acetamido-3-[4-[benzyl(methyl)amino]phenyl]propanoic acid
CID 11823586
N-benzyl-N-propan-2-ylacetamide
CID 23534449
(4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one
CID 10497008
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162

Frequently Asked Questions

What is the IUPAC name of N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide?
The IUPAC name of N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide (CID 2843650) is N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide.
What is the SMILES notation for N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide?
The canonical SMILES for N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide is CC(=O)NC(N(C)Cc1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide?
The InChIKey is UAYQNAITJUZJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O/c1-9(18)16-11(12(13,14)15)17(2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,16,18).
What are the key properties of N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide?
N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide has a molecular weight of 309.62 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide is sourced from PubChem (CID 2843650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).