N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C13H15ClF3N3O3 — CID 3304469

IUPACN-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C13H15ClF3N3O3/c1-12(2,3)19-11(23)18-9(21)6-20-5-7(13(15,16)17)4-8(14)10(20)22/h4-5H,6H2,1-3H3,(H2,18,19,21,23)
InChIKeyDPXKGIROERCUNZ-UHFFFAOYSA-N
MW353.73 g/mol
LogP2.14
Rot. Bonds2

About N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 3304469) has the molecular formula C13H15ClF3N3O3 and a molecular weight of 353.73 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID3304469
Molecular FormulaC13H15ClF3N3O3
Molecular Weight353.73 g/mol
Exact Mass353.08
IUPAC NameN-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C13H15ClF3N3O3/c1-12(2,3)19-11(23)18-9(21)6-20-5-7(13(15,16)17)4-8(14)10(20)22/h4-5H,6H2,1-3H3,(H2,18,19,21,23)
InChIKeyDPXKGIROERCUNZ-UHFFFAOYSA-N
XLogP2.14
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 3304469) is N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is DPXKGIROERCUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N3O3/c1-12(2,3)19-11(23)18-9(21)6-20-5-7(13(15,16)17)4-8(14)10(20)22/h4-5H,6H2,1-3H3,(H2,18,19,21,23).
What are the key properties of N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 353.73 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 3304469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).