2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide

C15H16Cl3N3O2 — CID 73123566

IUPAC2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide
SMILESCC(C)(C)C(=O)C(=[N+]=[N-])C(NC(=O)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C15H16Cl3N3O2/c1-14(2,3)12(22)11(21-19)10(9-7-5-4-6-8-9)20-13(23)15(16,17)18/h4-8,10H,1-3H3,(H,20,23)
InChIKeyUTRUDEQAJFOLHL-UHFFFAOYSA-N
MW376.67 g/mol
LogP3.50
Rot. Bonds4

About 2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide

2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide (PubChem CID 73123566) has the molecular formula C15H16Cl3N3O2 and a molecular weight of 376.67 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide
PubChem CID73123566
Molecular FormulaC15H16Cl3N3O2
Molecular Weight376.67 g/mol
Exact Mass375.03
IUPAC Name2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide
SMILESCC(C)(C)C(=O)C(=[N+]=[N-])C(NC(=O)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C15H16Cl3N3O2/c1-14(2,3)12(22)11(21-19)10(9-7-5-4-6-8-9)20-13(23)15(16,17)18/h4-8,10H,1-3H3,(H,20,23)
InChIKeyUTRUDEQAJFOLHL-UHFFFAOYSA-N
XLogP3.50
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.67
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryl-2,2,2-trichloroacetamide
CID 3685786
methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate
CID 10778083
(2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid
CID 62845633
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 15210216
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
(2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid
CID 62836836
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286997
2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
CID 61158432
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide (CID 73123566) is 2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide is CC(C)(C)C(=O)C(=[N+]=[N-])C(NC(=O)C(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of 2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide?
The InChIKey is UTRUDEQAJFOLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl3N3O2/c1-14(2,3)12(22)11(21-19)10(9-7-5-4-6-8-9)20-13(23)15(16,17)18/h4-8,10H,1-3H3,(H,20,23).
What are the key properties of 2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide?
2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide has a molecular weight of 376.67 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide is sourced from PubChem (CID 73123566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).