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

C14H13F2N3O — CID 63185451

IUPAC4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(Cc1ccncc1)C(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C14H13F2N3O/c1-19(8-9-2-4-18-5-3-9)14(20)10-6-11(15)13(17)12(16)7-10/h2-7H,8,17H2,1H3
InChIKeyPZQKKGBGNBKJTK-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.21
Rot. Bonds3

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

4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 63185451) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID63185451
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(Cc1ccncc1)C(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C14H13F2N3O/c1-19(8-9-2-4-18-5-3-9)14(20)10-6-11(15)13(17)12(16)7-10/h2-7H,8,17H2,1H3
InChIKeyPZQKKGBGNBKJTK-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

2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62662222
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
6-amino-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62156193
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 43564503
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 39372172
4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 112702339
N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide
CID 113257132

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide (CID 63185451) is 4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide is CN(Cc1ccncc1)C(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is PZQKKGBGNBKJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-19(8-9-2-4-18-5-3-9)14(20)10-6-11(15)13(17)12(16)7-10/h2-7H,8,17H2,1H3.
What are the key properties of 4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-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 4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 63185451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).