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

C14H13F2N3O — CID 107120541

IUPAC3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccn1)C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C14H13F2N3O/c1-19(8-10-4-2-3-5-18-10)14(20)11-6-9(15)7-12(17)13(11)16/h2-7H,8,17H2,1H3
InChIKeyRVFFLPUHLFMIJT-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.21
Rot. Bonds3

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

3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 107120541) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID107120541
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccn1)C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C14H13F2N3O/c1-19(8-10-4-2-3-5-18-10)14(20)11-6-9(15)7-12(17)13(11)16/h2-7H,8,17H2,1H3
InChIKeyRVFFLPUHLFMIJT-UHFFFAOYSA-N
XLogP2.21
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.21
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

4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
5-amino-N,2-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 61291923
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 86824171
5-amino-N-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 43565776
3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 107120715
3-amino-2,5-difluoro-N-methyl-N-pentylbenzamide
CID 107120492
3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide
CID 107121456
2-hydroxy-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565722
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
5-chloro-2-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565718
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 47391163

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 107120541) is 3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide is CN(Cc1ccccn1)C(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is RVFFLPUHLFMIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-19(8-10-4-2-3-5-18-10)14(20)11-6-9(15)7-12(17)13(11)16/h2-7H,8,17H2,1H3.
What are the key properties of 3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 277.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 107120541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).