2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide

C15H12ClF3N2O3 — CID 74229458

IUPAC2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2Cl)c(OC)n1
InChIInChI=1S/C15H12ClF3N2O3/c1-23-11-7-6-10(14(21-11)24-2)20-13(22)8-4-3-5-9(12(8)16)15(17,18)19/h3-7H,1-2H3,(H,20,22)
InChIKeyBRWPTKVGWFPUQS-UHFFFAOYSA-N
MW360.72 g/mol
LogP4.02
Rot. Bonds4

About 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide

2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide (PubChem CID 74229458) has the molecular formula C15H12ClF3N2O3 and a molecular weight of 360.72 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide
PubChem CID74229458
Molecular FormulaC15H12ClF3N2O3
Molecular Weight360.72 g/mol
Exact Mass360.05
IUPAC Name2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2Cl)c(OC)n1
InChIInChI=1S/C15H12ClF3N2O3/c1-23-11-7-6-10(14(21-11)24-2)20-13(22)8-4-3-5-9(12(8)16)15(17,18)19/h3-7H,1-2H3,(H,20,22)
InChIKeyBRWPTKVGWFPUQS-UHFFFAOYSA-N
XLogP4.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.72
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide (CID 74229458) is 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide is COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2Cl)c(OC)n1.
What is the InChIKey of 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide?
The InChIKey is BRWPTKVGWFPUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O3/c1-23-11-7-6-10(14(21-11)24-2)20-13(22)8-4-3-5-9(12(8)16)15(17,18)19/h3-7H,1-2H3,(H,20,22).
What are the key properties of 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide?
2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide has a molecular weight of 360.72 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 74229458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).