1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide

C16H19Cl3N2O2 — CID 100972177

IUPAC1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl3N2O2/c1-16(2,3)15(23)21-6-4-5-12(21)14(22)20-9-7-10(17)13(19)11(18)8-9/h7-8,12H,4-6H2,1-3H3,(H,20,22)
InChIKeyANIUBTKXLXZNNN-UHFFFAOYSA-N
MW377.70 g/mol
LogP4.62
Rot. Bonds2

About 1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 100972177) has the molecular formula C16H19Cl3N2O2 and a molecular weight of 377.70 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide
PubChem CID100972177
Molecular FormulaC16H19Cl3N2O2
Molecular Weight377.70 g/mol
Exact Mass376.05
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl3N2O2/c1-16(2,3)15(23)21-6-4-5-12(21)14(22)20-9-7-10(17)13(19)11(18)8-9/h7-8,12H,4-6H2,1-3H3,(H,20,22)
InChIKeyANIUBTKXLXZNNN-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.70
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 100972174
1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 47184320
1-(2,2-dimethylpropanoyl)-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 47050528
1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 55634906
N-(2-chlorophenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343933
tert-butyl (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 11934895
1-(2,2-dimethylpropanoyl)-N-(5-ethyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 115609289
1-(2,2-dimethylpropanoyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55606432
tert-butyl (2R)-2-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 36765757
1-(2,2-dimethylpropanoyl)-N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
CID 104620312
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 55608214
N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide
CID 55873784

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide (CID 100972177) is 1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide is CC(C)(C)C(=O)N1CCCC1C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is ANIUBTKXLXZNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl3N2O2/c1-16(2,3)15(23)21-6-4-5-12(21)14(22)20-9-7-10(17)13(19)11(18)8-9/h7-8,12H,4-6H2,1-3H3,(H,20,22).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 377.70 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 100972177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).