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

C21H16F3N3O2 — CID 113020429

IUPACN-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)cc1
InChIInChI=1S/C21H16F3N3O2/c1-13(28)14-4-8-17(9-5-14)26-19-11-10-18(12-25-19)27-20(29)15-2-6-16(7-3-15)21(22,23)24/h2-12H,1H3,(H,25,26)(H,27,29)
InChIKeyWBSJXNOTOGOBGS-UHFFFAOYSA-N
MW399.37 g/mol
LogP5.30
Rot. Bonds5

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

N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide (PubChem CID 113020429) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
PubChem CID113020429
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC NameN-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)cc1
InChIInChI=1S/C21H16F3N3O2/c1-13(28)14-4-8-17(9-5-14)26-19-11-10-18(12-25-19)27-20(29)15-2-6-16(7-3-15)21(22,23)24/h2-12H,1H3,(H,25,26)(H,27,29)
InChIKeyWBSJXNOTOGOBGS-UHFFFAOYSA-N
XLogP5.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.37
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113020253
N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245760
N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
CID 113020395
N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 103789776
6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162705
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113012936

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide (CID 113020429) is N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide is CC(=O)c1ccc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)cc1.
What is the InChIKey of N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The InChIKey is WBSJXNOTOGOBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-13(28)14-4-8-17(9-5-14)26-19-11-10-18(12-25-19)27-20(29)15-2-6-16(7-3-15)21(22,23)24/h2-12H,1H3,(H,25,26)(H,27,29).
What are the key properties of N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide has a molecular weight of 399.37 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113020429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).