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

C19H14F3N3O2 — CID 113037429

IUPAC3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(F)c(F)c3F)cn2)c1
InChIInChI=1S/C19H14F3N3O2/c1-27-13-4-2-3-11(9-13)19(26)25-16-8-5-12(10-23-16)24-15-7-6-14(20)17(21)18(15)22/h2-10,24H,1H3,(H,23,25,26)
InChIKeyCHIIQWKWAAQMPA-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.50
Rot. Bonds5

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

3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide (PubChem CID 113037429) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
PubChem CID113037429
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(F)c(F)c3F)cn2)c1
InChIInChI=1S/C19H14F3N3O2/c1-27-13-4-2-3-11(9-13)19(26)25-16-8-5-12(10-23-16)24-15-7-6-14(20)17(21)18(15)22/h2-10,24H,1H3,(H,23,25,26)
InChIKeyCHIIQWKWAAQMPA-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

4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037430
3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051480
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113033566
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113036762
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
3-methoxy-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034507
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide
CID 113035591

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide?
The IUPAC name of 3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide (CID 113037429) is 3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide is COc1cccc(C(=O)Nc2ccc(Nc3ccc(F)c(F)c3F)cn2)c1.
What is the InChIKey of 3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide?
The InChIKey is CHIIQWKWAAQMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-27-13-4-2-3-11(9-13)19(26)25-16-8-5-12(10-23-16)24-15-7-6-14(20)17(21)18(15)22/h2-10,24H,1H3,(H,23,25,26).
What are the key properties of 3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide?
3-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 3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113037429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).