2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

C15H19FN4O — CID 62661928

IUPAC2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCCNc1c(F)cccc1C(=O)NCCc1nccn1C
InChIInChI=1S/C15H19FN4O/c1-3-17-14-11(5-4-6-12(14)16)15(21)19-8-7-13-18-9-10-20(13)2/h4-6,9-10,17H,3,7-8H2,1-2H3,(H,19,21)
InChIKeyNEATUJQJIWINTH-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.96
Rot. Bonds6

About 2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (PubChem CID 62661928) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
PubChem CID62661928
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCCNc1c(F)cccc1C(=O)NCCc1nccn1C
InChIInChI=1S/C15H19FN4O/c1-3-17-14-11(5-4-6-12(14)16)15(21)19-8-7-13-18-9-10-20(13)2/h4-6,9-10,17H,3,7-8H2,1-2H3,(H,19,21)
InChIKeyNEATUJQJIWINTH-UHFFFAOYSA-N
XLogP1.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527510
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 51102554
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
4-(ethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62173804
2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 62649385
3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
CID 55100061
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (CID 62661928) is 2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is CCNc1c(F)cccc1C(=O)NCCc1nccn1C.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The InChIKey is NEATUJQJIWINTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-3-17-14-11(5-4-6-12(14)16)15(21)19-8-7-13-18-9-10-20(13)2/h4-6,9-10,17H,3,7-8H2,1-2H3,(H,19,21).
What are the key properties of 2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide has a molecular weight of 290.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 62661928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).