2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide

C15H16FN3O — CID 62649385

IUPAC2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
SMILESCCNc1c(F)cccc1C(=O)NCc1ccncc1
InChIInChI=1S/C15H16FN3O/c1-2-18-14-12(4-3-5-13(14)16)15(20)19-10-11-6-8-17-9-7-11/h3-9,18H,2,10H2,1H3,(H,19,20)
InChIKeyYOGBZDYYCCCLFA-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.58
Rot. Bonds5

About 2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide

2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 62649385) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
PubChem CID62649385
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
SMILESCCNc1c(F)cccc1C(=O)NCc1ccncc1
InChIInChI=1S/C15H16FN3O/c1-2-18-14-12(4-3-5-13(14)16)15(20)19-10-11-6-8-17-9-7-11/h3-9,18H,2,10H2,1H3,(H,19,20)
InChIKeyYOGBZDYYCCCLFA-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 62649386
N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide
CID 62649718
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
2-(ethylamino)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248048
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188
3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 62661709
2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62660746
N-benzyl-3-fluoro-2-(methylamino)benzamide
CID 55100092
N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963792
2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 62661928
3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
CID 62650270

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide (CID 62649385) is 2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide is CCNc1c(F)cccc1C(=O)NCc1ccncc1.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is YOGBZDYYCCCLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-2-18-14-12(4-3-5-13(14)16)15(20)19-10-11-6-8-17-9-7-11/h3-9,18H,2,10H2,1H3,(H,19,20).
What are the key properties of 2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide?
2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 62649385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).