3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide

C15H16FN3O — CID 62661709

IUPAC3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
SMILESCNc1c(F)cccc1C(=O)NCCc1ccncc1
InChIInChI=1S/C15H16FN3O/c1-17-14-12(3-2-4-13(14)16)15(20)19-10-7-11-5-8-18-9-6-11/h2-6,8-9,17H,7,10H2,1H3,(H,19,20)
InChIKeyZLLDISWQSHFSCY-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.23
Rot. Bonds5

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

3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 62661709) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID62661709
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
SMILESCNc1c(F)cccc1C(=O)NCCc1ccncc1
InChIInChI=1S/C15H16FN3O/c1-17-14-12(3-2-4-13(14)16)15(20)19-10-7-11-5-8-18-9-6-11/h2-6,8-9,17H,7,10H2,1H3,(H,19,20)
InChIKeyZLLDISWQSHFSCY-UHFFFAOYSA-N
XLogP2.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 63185327
3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82829166
3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 62649386
2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 62649385
N-benzyl-3-fluoro-2-(methylamino)benzamide
CID 55100092
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
3-fluoro-2-(methylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 63331174
3-fluoro-2-(methylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63824200
2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60914586
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
CID 55100061

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide (CID 62661709) is 3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide is CNc1c(F)cccc1C(=O)NCCc1ccncc1.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is ZLLDISWQSHFSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-17-14-12(3-2-4-13(14)16)15(20)19-10-7-11-5-8-18-9-6-11/h2-6,8-9,17H,7,10H2,1H3,(H,19,20).
What are the key properties of 3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide?
3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 62661709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).