2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide

C20H15ClF3N3O — CID 86716383

IUPAC2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
SMILESO=C(NCC(c1ccncc1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl
InChIInChI=1S/C20H15ClF3N3O/c21-17-4-2-1-3-15(17)19(28)27-12-16(13-7-9-25-10-8-13)14-5-6-18(26-11-14)20(22,23)24/h1-11,16H,12H2,(H,27,28)
InChIKeyYNKDCJOAEHOACA-UHFFFAOYSA-N
MW405.81 g/mol
LogP4.71
Rot. Bonds5

About 2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide

2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide (PubChem CID 86716383) has the molecular formula C20H15ClF3N3O and a molecular weight of 405.81 g/mol. Its IUPAC name is 2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
PubChem CID86716383
Molecular FormulaC20H15ClF3N3O
Molecular Weight405.81 g/mol
Exact Mass405.09
IUPAC Name2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
SMILESO=C(NCC(c1ccncc1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl
InChIInChI=1S/C20H15ClF3N3O/c21-17-4-2-1-3-15(17)19(28)27-12-16(13-7-9-25-10-8-13)14-5-6-18(26-11-14)20(22,23)24/h1-11,16H,12H2,(H,27,28)
InChIKeyYNKDCJOAEHOACA-UHFFFAOYSA-N
XLogP4.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.81
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide (CID 86716383) is 2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide is O=C(NCC(c1ccncc1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
The InChIKey is YNKDCJOAEHOACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O/c21-17-4-2-1-3-15(17)19(28)27-12-16(13-7-9-25-10-8-13)14-5-6-18(26-11-14)20(22,23)24/h1-11,16H,12H2,(H,27,28).
What are the key properties of 2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide has a molecular weight of 405.81 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 86716383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).