2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide

C13H11F2N3O — CID 43673750

IUPAC2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
SMILESNC(=O)c1cc(NCc2ccncc2)c(F)cc1F
InChIInChI=1S/C13H11F2N3O/c14-10-6-11(15)12(5-9(10)13(16)19)18-7-8-1-3-17-4-2-8/h1-6,18H,7H2,(H2,16,19)
InChIKeyJQAFAZIJYRPPBA-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.07
Rot. Bonds4

About 2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide

2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide (PubChem CID 43673750) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
PubChem CID43673750
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
SMILESNC(=O)c1cc(NCc2ccncc2)c(F)cc1F
InChIInChI=1S/C13H11F2N3O/c14-10-6-11(15)12(5-9(10)13(16)19)18-7-8-1-3-17-4-2-8/h1-6,18H,7H2,(H2,16,19)
InChIKeyJQAFAZIJYRPPBA-UHFFFAOYSA-N
XLogP2.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide
CID 43673715
5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide
CID 43779137
2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821841
2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide
CID 62763594
5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide
CID 105401144
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647
5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide
CID 66387532
5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
CID 62964464
5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide
CID 114487296
3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide
CID 91071106
5-[(3,5-difluorophenyl)methylamino]-2,4-difluorobenzoic acid
CID 106528385

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of 2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide (CID 43673750) is 2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for 2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for 2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide is NC(=O)c1cc(NCc2ccncc2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is JQAFAZIJYRPPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-10-6-11(15)12(5-9(10)13(16)19)18-7-8-1-3-17-4-2-8/h1-6,18H,7H2,(H2,16,19).
What are the key properties of 2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide?
2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 263.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 43673750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).