4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide

C19H14F3N3O2 — CID 113037430

IUPAC4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(F)c(F)c3F)cn2)cc1
InChIInChI=1S/C19H14F3N3O2/c1-27-13-5-2-11(3-6-13)19(26)25-16-9-4-12(10-23-16)24-15-8-7-14(20)17(21)18(15)22/h2-10,24H,1H3,(H,23,25,26)
InChIKeyKOGAGZPGTPNTIN-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.50
Rot. Bonds5

About 4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide

4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide (PubChem CID 113037430) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
PubChem CID113037430
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(F)c(F)c3F)cn2)cc1
InChIInChI=1S/C19H14F3N3O2/c1-27-13-5-2-11(3-6-13)19(26)25-16-9-4-12(10-23-16)24-15-8-7-14(20)17(21)18(15)22/h2-10,24H,1H3,(H,23,25,26)
InChIKeyKOGAGZPGTPNTIN-UHFFFAOYSA-N
XLogP4.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037429
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023061
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032033
N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032411
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034689
N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113036697
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034626
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113028186
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113025505

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide?
The IUPAC name of 4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide (CID 113037430) is 4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide?
The canonical SMILES for 4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccc(F)c(F)c3F)cn2)cc1.
What is the InChIKey of 4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide?
The InChIKey is KOGAGZPGTPNTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-27-13-5-2-11(3-6-13)19(26)25-16-9-4-12(10-23-16)24-15-8-7-14(20)17(21)18(15)22/h2-10,24H,1H3,(H,23,25,26).
What are the key properties of 4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide?
4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide has a molecular weight of 373.33 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113037430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).