3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide

C18H10F5N3O — CID 113023072

IUPAC3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2F)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H10F5N3O/c19-11-3-1-9(7-13(11)21)18(27)25-10-2-6-15(24-8-10)26-14-5-4-12(20)16(22)17(14)23/h1-8H,(H,24,26)(H,25,27)
InChIKeyJVRDJIDWCNGHMN-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.77
Rot. Bonds4

About 3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide

3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide (PubChem CID 113023072) has the molecular formula C18H10F5N3O and a molecular weight of 379.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
PubChem CID113023072
Molecular FormulaC18H10F5N3O
Molecular Weight379.29 g/mol
Exact Mass379.07
IUPAC Name3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2F)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H10F5N3O/c19-11-3-1-9(7-13(11)21)18(27)25-10-2-6-15(24-8-10)26-14-5-4-12(20)16(22)17(14)23/h1-8H,(H,24,26)(H,25,27)
InChIKeyJVRDJIDWCNGHMN-UHFFFAOYSA-N
XLogP4.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109164774
N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109163462
3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017842
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide
CID 113023032
methyl 3-[[5-[(3,4-difluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020698
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021858
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide
CID 113023033
4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide
CID 113022233
2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023060
4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037430
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019057

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide (CID 113023072) is 3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccc(F)c(F)c2F)nc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide?
The InChIKey is JVRDJIDWCNGHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N3O/c19-11-3-1-9(7-13(11)21)18(27)25-10-2-6-15(24-8-10)26-14-5-4-12(20)16(22)17(14)23/h1-8H,(H,24,26)(H,25,27).
What are the key properties of 3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide?
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide has a molecular weight of 379.29 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113023072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).