2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide

C13H8F3NO2S — CID 89172621

IUPAC2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide
SMILESCc1csc(C=O)c1NC(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H8F3NO2S/c1-6-5-20-11(4-18)12(6)17-13(19)7-2-9(15)10(16)3-8(7)14/h2-5H,1H3,(H,17,19)
InChIKeyWOSHZZMRBBCWJV-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.54
Rot. Bonds3

About 2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide

2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide (PubChem CID 89172621) has the molecular formula C13H8F3NO2S and a molecular weight of 299.27 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide
PubChem CID89172621
Molecular FormulaC13H8F3NO2S
Molecular Weight299.27 g/mol
Exact Mass299.02
IUPAC Name2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide
SMILESCc1csc(C=O)c1NC(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H8F3NO2S/c1-6-5-20-11(4-18)12(6)17-13(19)7-2-9(15)10(16)3-8(7)14/h2-5H,1H3,(H,17,19)
InChIKeyWOSHZZMRBBCWJV-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide?
The IUPAC name of 2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide (CID 89172621) is 2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide.
What is the SMILES notation for 2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide?
The canonical SMILES for 2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide is Cc1csc(C=O)c1NC(=O)c1cc(F)c(F)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide?
The InChIKey is WOSHZZMRBBCWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2S/c1-6-5-20-11(4-18)12(6)17-13(19)7-2-9(15)10(16)3-8(7)14/h2-5H,1H3,(H,17,19).
What are the key properties of 2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide?
2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide has a molecular weight of 299.27 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide is sourced from PubChem (CID 89172621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).