2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide

C14H13FN2O — CID 62509197

IUPAC2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(F)c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C14H13FN2O/c1-10-4-5-13(15)12(7-10)14(18)17-9-11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyRTOJRLHGASPIRN-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.46
Rot. Bonds3

About 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide

2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 62509197) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID62509197
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(F)c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C14H13FN2O/c1-10-4-5-13(15)12(7-10)14(18)17-9-11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyRTOJRLHGASPIRN-UHFFFAOYSA-N
XLogP2.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 61095317
6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360760
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 60822533
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
CID 62513842
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide
CID 17015882
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 56789485
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 62509197) is 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(F)c(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is RTOJRLHGASPIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-10-4-5-13(15)12(7-10)14(18)17-9-11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide?
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 244.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 62509197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).