2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide

C15H15FN2O — CID 79778156

IUPAC2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
SMILESCc1ccc(C(=O)NC(C)c2cccnc2)c(F)c1
InChIInChI=1S/C15H15FN2O/c1-10-5-6-13(14(16)8-10)15(19)18-11(2)12-4-3-7-17-9-12/h3-9,11H,1-2H3,(H,18,19)
InChIKeyHXTUXTPSSPTOQO-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.02
Rot. Bonds3

About 2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide

2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 79778156) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID79778156
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
SMILESCc1ccc(C(=O)NC(C)c2cccnc2)c(F)c1
InChIInChI=1S/C15H15FN2O/c1-10-5-6-13(14(16)8-10)15(19)18-11(2)12-4-3-7-17-9-12/h3-9,11H,1-2H3,(H,18,19)
InChIKeyHXTUXTPSSPTOQO-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 107794747
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43396829
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
1,6-dimethyl-2-oxo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 125437332
2-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 62511341
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 81443089
2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103891645
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide (CID 79778156) is 2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide is Cc1ccc(C(=O)NC(C)c2cccnc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is HXTUXTPSSPTOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-5-6-13(14(16)8-10)15(19)18-11(2)12-4-3-7-17-9-12/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide?
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 258.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 79778156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).