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
SMILESO=C(Cc1ccccn1)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)c(Cl)c1.O=C(Cc1ccccn1)NCc1ccc(C(F)(F)F)nc1-c1cccc(Cl)c1
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
LogP9.49
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
SMILESO=C(Cc1ccccn1)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)c(Cl)c1.O=C(Cc1ccccn1)NCc1ccc(C(F)(F)F)nc1-c1cccc(Cl)c1
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
XLogP9.49
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.60
LogP ≤ 59.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256713
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N,N'-bis[(4-fluorophenyl)methyl]propanediamide
CID 1481317
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2-pyridinyl)ethyl]acetamide
CID 3294185
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-pyridinylmethyl)acetamide
CID 1481319
2-(4-Chlorophenyl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119098998
2-(2-Chlorophenyl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119099020
(3-Chlorophenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119099030
2-(3-Chlorophenyl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119099032
(3-Chloro-4-fluorophenyl){4-fluoro-4-[(2-pyrid-2-ylethylamino)methyl]-1-piperidyl}methanone
CID 9800747
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 139170858
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(4-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl}piperazino)ethyl]acetamide
CID 3294419
3-Pyridineacetamide, 6-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-
CID 11530484

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 O=C(Cc1ccccn1)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)c(Cl)c1.O=C(Cc1ccccn1)NCc1ccc(C(F)(F)F)nc1-c1cccc(Cl)c1.
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 9.49, 10 rotatable bonds, 2 hydrogen bond donors, and 6 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).