5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide

C21H15ClF3N3O2 — CID 44571915

IUPAC5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H15ClF3N3O2/c1-12-4-6-14(10-16(12)20(30)28-15-3-2-8-26-11-15)27-19(29)13-5-7-18(22)17(9-13)21(23,24)25/h2-11H,1H3,(H,27,29)(H,28,30)
InChIKeyJXHSZSYJVKFKDE-UHFFFAOYSA-N
MW433.82 g/mol
LogP5.57
Rot. Bonds4

About 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide

5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide (PubChem CID 44571915) has the molecular formula C21H15ClF3N3O2 and a molecular weight of 433.82 g/mol. Its IUPAC name is 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
PubChem CID44571915
Molecular FormulaC21H15ClF3N3O2
Molecular Weight433.82 g/mol
Exact Mass433.08
IUPAC Name5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H15ClF3N3O2/c1-12-4-6-14(10-16(12)20(30)28-15-3-2-8-26-11-15)27-19(29)13-5-7-18(22)17(9-13)21(23,24)25/h2-11H,1H3,(H,27,29)(H,28,30)
InChIKeyJXHSZSYJVKFKDE-UHFFFAOYSA-N
XLogP5.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.82
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide (CID 44571915) is 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is JXHSZSYJVKFKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O2/c1-12-4-6-14(10-16(12)20(30)28-15-3-2-8-26-11-15)27-19(29)13-5-7-18(22)17(9-13)21(23,24)25/h2-11H,1H3,(H,27,29)(H,28,30).
What are the key properties of 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 433.82 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44571915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).