5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide

C13H11F2N3O — CID 61095317

IUPAC5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2cccnc2)c(F)cc1F
InChIInChI=1S/C13H11F2N3O/c14-10-5-11(15)12(16)4-9(10)13(19)18-7-8-2-1-3-17-6-8/h1-6H,7,16H2,(H,18,19)
InChIKeySFKOCOGNRQKLNP-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.87
Rot. Bonds3

About 5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide

5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 61095317) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID61095317
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2cccnc2)c(F)cc1F
InChIInChI=1S/C13H11F2N3O/c14-10-5-11(15)12(16)4-9(10)13(19)18-7-8-2-1-3-17-6-8/h1-6H,7,16H2,(H,18,19)
InChIKeySFKOCOGNRQKLNP-UHFFFAOYSA-N
XLogP1.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106894546
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849
5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
CID 107183451
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 60822533
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 79883496

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide (CID 61095317) is 5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide is Nc1cc(C(=O)NCc2cccnc2)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is SFKOCOGNRQKLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-10-5-11(15)12(16)4-9(10)13(19)18-7-8-2-1-3-17-6-8/h1-6H,7,16H2,(H,18,19).
What are the key properties of 5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide?
5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 263.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 61095317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).