N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C13H10BrF3N2O2S — CID 32777819

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccc(Br)s1
InChIInChI=1S/C13H10BrF3N2O2S/c14-10-3-2-9(22-10)5-18-11(20)7-19-6-8(13(15,16)17)1-4-12(19)21/h1-4,6H,5,7H2,(H,18,20)
InChIKeySVULEFSRADBWCJ-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.01
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 32777819) has the molecular formula C13H10BrF3N2O2S and a molecular weight of 395.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID32777819
Molecular FormulaC13H10BrF3N2O2S
Molecular Weight395.20 g/mol
Exact Mass393.96
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccc(Br)s1
InChIInChI=1S/C13H10BrF3N2O2S/c14-10-3-2-9(22-10)5-18-11(20)7-19-6-8(13(15,16)17)1-4-12(19)21/h1-4,6H,5,7H2,(H,18,20)
InChIKeySVULEFSRADBWCJ-UHFFFAOYSA-N
XLogP3.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 32777819) is N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is SVULEFSRADBWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O2S/c14-10-3-2-9(22-10)5-18-11(20)7-19-6-8(13(15,16)17)1-4-12(19)21/h1-4,6H,5,7H2,(H,18,20).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 395.20 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 32777819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).