N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide

C18H10F5N3O — CID 113037612

IUPACN-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2)cn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H10F5N3O/c19-12-4-1-9(7-14(12)21)25-10-2-6-15(24-8-10)26-18(27)11-3-5-13(20)17(23)16(11)22/h1-8,25H,(H,24,26,27)
InChIKeyCZOFCKWRZVHTGS-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.77
Rot. Bonds4

About N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide

N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide (PubChem CID 113037612) has the molecular formula C18H10F5N3O and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
PubChem CID113037612
Molecular FormulaC18H10F5N3O
Molecular Weight379.29 g/mol
Exact Mass379.07
IUPAC NameN-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2)cn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H10F5N3O/c19-12-4-1-9(7-14(12)21)25-10-2-6-15(24-8-10)26-18(27)11-3-5-13(20)17(23)16(11)22/h1-8,25H,(H,24,26,27)
InChIKeyCZOFCKWRZVHTGS-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-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
CID 113033399
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113037616
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide
CID 113033674
N-[4-(4-acetamidoanilino)phenyl]-2,3,4-trifluorobenzamide
CID 112988382
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide
CID 113023196
N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
CID 104624666
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide (CID 113037612) is N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide is O=C(Nc1ccc(Nc2ccc(F)c(F)c2)cn1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide?
The InChIKey is CZOFCKWRZVHTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N3O/c19-12-4-1-9(7-14(12)21)25-10-2-6-15(24-8-10)26-18(27)11-3-5-13(20)17(23)16(11)22/h1-8,25H,(H,24,26,27).
What are the key properties of N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide?
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide 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 N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 113037612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).