2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide

C13H12FN3O — CID 43132619

IUPAC2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
SMILESNc1ccc(F)cc1C(=O)NCc1ccccn1
InChIInChI=1S/C13H12FN3O/c14-9-4-5-12(15)11(7-9)13(18)17-8-10-3-1-2-6-16-10/h1-7H,8,15H2,(H,17,18)
InChIKeyHBYXSAJJPRQNHS-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.73
Rot. Bonds3

About 2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide

2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 43132619) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID43132619
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
SMILESNc1ccc(F)cc1C(=O)NCc1ccccn1
InChIInChI=1S/C13H12FN3O/c14-9-4-5-12(15)11(7-9)13(18)17-8-10-3-1-2-6-16-10/h1-7H,8,15H2,(H,17,18)
InChIKeyHBYXSAJJPRQNHS-UHFFFAOYSA-N
XLogP1.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.73
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

2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
2-amino-5-fluoro-N-(pyrimidin-4-ylmethyl)benzamide
CID 114110306
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103542782
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
CID 82741369
2-(2,5-difluorophenyl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 94285001
2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 23114730
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 22467360
5-amino-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 54914226
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
2-(2-amino-5-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 69335780

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide (CID 43132619) is 2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide is Nc1ccc(F)cc1C(=O)NCc1ccccn1.
What is the InChIKey of 2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is HBYXSAJJPRQNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-9-4-5-12(15)11(7-9)13(18)17-8-10-3-1-2-6-16-10/h1-7H,8,15H2,(H,17,18).
What are the key properties of 2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide?
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 245.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 43132619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).