2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide

C14H14FN3O — CID 63109669

IUPAC2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H14FN3O/c1-18(9-10-3-2-6-17-8-10)14(19)12-5-4-11(15)7-13(12)16/h2-8H,9,16H2,1H3
InChIKeyXUGHIDYILKGQCH-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.08
Rot. Bonds3

About 2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide

2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 63109669) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID63109669
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H14FN3O/c1-18(9-10-3-2-6-17-8-10)14(19)12-5-4-11(15)7-13(12)16/h2-8H,9,16H2,1H3
InChIKeyXUGHIDYILKGQCH-UHFFFAOYSA-N
XLogP2.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 60876600
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 54916915
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
N,6-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 78893836
4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43643792

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 63109669) is 2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide is CN(Cc1cccnc1)C(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is XUGHIDYILKGQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-18(9-10-3-2-6-17-8-10)14(19)12-5-4-11(15)7-13(12)16/h2-8H,9,16H2,1H3.
What are the key properties of 2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 259.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 63109669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).