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

C21H16F3N3O2 — CID 11574855

IUPAC2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H16F3N3O2/c1-13-7-8-16(11-18(13)20(29)27-17-6-3-9-25-12-17)26-19(28)14-4-2-5-15(10-14)21(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyPJHDLAYUOWOWCS-UHFFFAOYSA-N
MW399.37 g/mol
LogP4.91
Rot. Bonds4

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

2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 11574855) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID11574855
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC Name2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H16F3N3O2/c1-13-7-8-16(11-18(13)20(29)27-17-6-3-9-25-12-17)26-19(28)14-4-2-5-15(10-14)21(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyPJHDLAYUOWOWCS-UHFFFAOYSA-N
XLogP4.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of 2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 11574855) is 2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is PJHDLAYUOWOWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-13-7-8-16(11-18(13)20(29)27-17-6-3-9-25-12-17)26-19(28)14-4-2-5-15(10-14)21(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 399.37 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridin-3-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 11574855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).