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

C15H16FN3O — CID 39372172

IUPAC3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCN(CCc1ccncc1)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C15H16FN3O/c1-19(9-6-11-4-7-18-8-5-11)15(20)12-2-3-13(16)14(17)10-12/h2-5,7-8,10H,6,9,17H2,1H3
InChIKeyAHIAIMGCBJVAPL-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.12
Rot. Bonds4

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

3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 39372172) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID39372172
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCN(CCc1ccncc1)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C15H16FN3O/c1-19(9-6-11-4-7-18-8-5-11)15(20)12-2-3-13(16)14(17)10-12/h2-5,7-8,10H,6,9,17H2,1H3
InChIKeyAHIAIMGCBJVAPL-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

5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60913362
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
CID 62680430
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 61108530
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692316
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
1-N-[(2-fluorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109047167
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43437024
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
N-methyl-4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)benzamide
CID 110762446

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide (CID 39372172) is 3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide is CN(CCc1ccncc1)C(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is AHIAIMGCBJVAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(9-6-11-4-7-18-8-5-11)15(20)12-2-3-13(16)14(17)10-12/h2-5,7-8,10H,6,9,17H2,1H3.
What are the key properties of 3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
3-amino-4-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 3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 39372172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).