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

C19H10ClF6N3O — CID 11517943

IUPACN-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1Cl)c1ccc(-c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C19H10ClF6N3O/c20-16-13(7-8-14(29-16)19(24,25)26)28-17(30)11-5-3-10(4-6-11)15-12(18(21,22)23)2-1-9-27-15/h1-9H,(H,28,30)
InChIKeyHXYKMXAUHQLLEF-UHFFFAOYSA-N
MW445.75 g/mol
LogP6.09
Rot. Bonds3

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

N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 11517943) has the molecular formula C19H10ClF6N3O and a molecular weight of 445.75 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID11517943
Molecular FormulaC19H10ClF6N3O
Molecular Weight445.75 g/mol
Exact Mass445.04
IUPAC NameN-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1Cl)c1ccc(-c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C19H10ClF6N3O/c20-16-13(7-8-14(29-16)19(24,25)26)28-17(30)11-5-3-10(4-6-11)15-12(18(21,22)23)2-1-9-27-15/h1-9H,(H,28,30)
InChIKeyHXYKMXAUHQLLEF-UHFFFAOYSA-N
XLogP6.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.75
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 11517943) is N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(Nc1ccc(C(F)(F)F)nc1Cl)c1ccc(-c2ncccc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is HXYKMXAUHQLLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF6N3O/c20-16-13(7-8-14(29-16)19(24,25)26)28-17(30)11-5-3-10(4-6-11)15-12(18(21,22)23)2-1-9-27-15/h1-9H,(H,28,30).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 445.75 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 11517943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).