N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide

C15H8ClF7N2O2 — CID 72734664

IUPACN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
SMILESCOc1c(F)c(F)c(C(=O)NCc2ncc(C(F)(F)F)cc2Cl)c(F)c1F
InChIInChI=1S/C15H8ClF7N2O2/c1-27-13-11(19)9(17)8(10(18)12(13)20)14(26)25-4-7-6(16)2-5(3-24-7)15(21,22)23/h2-3H,4H2,1H3,(H,25,26)
InChIKeyDNJKFZQFTZJKDK-UHFFFAOYSA-N
MW416.68 g/mol
LogP4.25
Rot. Bonds4

About N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide

N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide (PubChem CID 72734664) has the molecular formula C15H8ClF7N2O2 and a molecular weight of 416.68 g/mol. Its IUPAC name is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
PubChem CID72734664
Molecular FormulaC15H8ClF7N2O2
Molecular Weight416.68 g/mol
Exact Mass416.02
IUPAC NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
SMILESCOc1c(F)c(F)c(C(=O)NCc2ncc(C(F)(F)F)cc2Cl)c(F)c1F
InChIInChI=1S/C15H8ClF7N2O2/c1-27-13-11(19)9(17)8(10(18)12(13)20)14(26)25-4-7-6(16)2-5(3-24-7)15(21,22)23/h2-3H,4H2,1H3,(H,25,26)
InChIKeyDNJKFZQFTZJKDK-UHFFFAOYSA-N
XLogP4.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.68
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide (CID 72734664) is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide.
What is the SMILES notation for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The canonical SMILES for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide is COc1c(F)c(F)c(C(=O)NCc2ncc(C(F)(F)F)cc2Cl)c(F)c1F.
What is the InChIKey of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The InChIKey is DNJKFZQFTZJKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF7N2O2/c1-27-13-11(19)9(17)8(10(18)12(13)20)14(26)25-4-7-6(16)2-5(3-24-7)15(21,22)23/h2-3H,4H2,1H3,(H,25,26).
What are the key properties of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide?
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide has a molecular weight of 416.68 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide is sourced from PubChem (CID 72734664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).