5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide

C15H16FN3O — CID 60913362

IUPAC5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCN(CCc1ccncc1)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H16FN3O/c1-19(9-6-11-4-7-18-8-5-11)15(20)13-10-12(17)2-3-14(13)16/h2-5,7-8,10H,6,9,17H2,1H3
InChIKeyMQLIAQJWGDNCNA-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.12
Rot. Bonds4

About 5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide

5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 60913362) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID60913362
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCN(CCc1ccncc1)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H16FN3O/c1-19(9-6-11-4-7-18-8-5-11)15(20)13-10-12(17)2-3-14(13)16/h2-5,7-8,10H,6,9,17H2,1H3
InChIKeyMQLIAQJWGDNCNA-UHFFFAOYSA-N
XLogP2.12
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.12
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

3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 39372172
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79844796
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide
CID 61107981
N,2,4-trimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 110852637

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide (CID 60913362) is 5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide is CN(CCc1ccncc1)C(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is MQLIAQJWGDNCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(9-6-11-4-7-18-8-5-11)15(20)13-10-12(17)2-3-14(13)16/h2-5,7-8,10H,6,9,17H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 60913362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).