2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C20H13ClF3N3O2 — CID 11567957

IUPAC2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N3O2/c21-17-7-6-14(10-16(17)19(29)27-15-5-2-8-25-11-15)26-18(28)12-3-1-4-13(9-12)20(22,23)24/h1-11H,(H,26,28)(H,27,29)
InChIKeyRJRVAEFJVUKEER-UHFFFAOYSA-N
MW419.79 g/mol
LogP5.26
Rot. Bonds4

About 2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 11567957) has the molecular formula C20H13ClF3N3O2 and a molecular weight of 419.79 g/mol. Its IUPAC name is 2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID11567957
Molecular FormulaC20H13ClF3N3O2
Molecular Weight419.79 g/mol
Exact Mass419.06
IUPAC Name2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N3O2/c21-17-7-6-14(10-16(17)19(29)27-15-5-2-8-25-11-15)26-18(28)12-3-1-4-13(9-12)20(22,23)24/h1-11H,(H,26,28)(H,27,29)
InChIKeyRJRVAEFJVUKEER-UHFFFAOYSA-N
XLogP5.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.79
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 11567957) is 2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is O=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is RJRVAEFJVUKEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3O2/c21-17-7-6-14(10-16(17)19(29)27-15-5-2-8-25-11-15)26-18(28)12-3-1-4-13(9-12)20(22,23)24/h1-11H,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 419.79 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 11567957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).