N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide

C40H29Cl2F7N6O2 — CID 89397374

IUPACN-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide
SMILESC1=CC=NC(=C1)CC(=O)NCC2=C(N=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)Cl.C1=CC=NC(=C1)CC(=O)NCC2=C(N=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)F)Cl
InChIInChI=1S/C20H14ClF4N3O.C20H15ClF3N3O/c21-15-9-12(4-6-16(15)22)19-13(5-7-17(28-19)20(23,24)25)11-27-18(29)10-14-3-1-2-8-26-14;21-15-5-3-4-13(10-15)19-14(7-8-17(27-19)20(22,23)24)12-26-18(28)11-16-6-1-2-9-25-16/h1-9H,10-11H2,(H,27,29);1-10H,11-12H2,(H,26,28)
InChIKeyUZWHFHXYHDKGQN-UHFFFAOYSA-N
MW829.60 g/mol
LogP—
Rot. Bonds10

About N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide

N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide (PubChem CID 89397374) has the molecular formula C40H29Cl2F7N6O2 and a molecular weight of 829.60 g/mol. Its IUPAC name is N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide
PubChem CID89397374
Molecular FormulaC40H29Cl2F7N6O2
Molecular Weight829.60 g/mol
Exact Mass828.16
IUPAC NameN-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide
SMILESC1=CC=NC(=C1)CC(=O)NCC2=C(N=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)Cl.C1=CC=NC(=C1)CC(=O)NCC2=C(N=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)F)Cl
InChIInChI=1S/C20H14ClF4N3O.C20H15ClF3N3O/c21-15-9-12(4-6-16(15)22)19-13(5-7-17(28-19)20(23,24)25)11-27-18(29)10-14-3-1-2-8-26-14;21-15-5-3-4-13(10-15)19-14(7-8-17(27-19)20(22,23)24)12-26-18(28)11-16-6-1-2-9-25-16/h1-9H,10-11H2,(H,27,29);1-10H,11-12H2,(H,26,28)
InChIKeyUZWHFHXYHDKGQN-UHFFFAOYSA-N
XLogP—
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms57
Complexity1070

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide (CID 89397374) is N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide is C1=CC=NC(=C1)CC(=O)NCC2=C(N=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)Cl.C1=CC=NC(=C1)CC(=O)NCC2=C(N=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)F)Cl.
What is the InChIKey of N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide?
The InChIKey is UZWHFHXYHDKGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF4N3O.C20H15ClF3N3O/c21-15-9-12(4-6-16(15)22)19-13(5-7-17(28-19)20(23,24)25)11-27-18(29)10-14-3-1-2-8-26-14;21-15-5-3-4-13(10-15)19-14(7-8-17(27-19)20(22,23)24)12-26-18(28)11-16-6-1-2-9-25-16/h1-9H,10-11H2,(H,27,29);1-10H,11-12H2,(H,26,28).
What are the key properties of N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide?
N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide has a molecular weight of 829.60 g/mol, XLogP of not available, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 89397374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).