2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide

C15H17FN2O2 — CID 62660746

IUPAC2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCCNc1c(F)cccc1C(=O)NCc1ccc(C)o1
InChIInChI=1S/C15H17FN2O2/c1-3-17-14-12(5-4-6-13(14)16)15(19)18-9-11-8-7-10(2)20-11/h4-8,17H,3,9H2,1-2H3,(H,18,19)
InChIKeyPBYBPLJQKGWXGY-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.09
Rot. Bonds5

About 2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide

2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 62660746) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID62660746
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCCNc1c(F)cccc1C(=O)NCc1ccc(C)o1
InChIInChI=1S/C15H17FN2O2/c1-3-17-14-12(5-4-6-13(14)16)15(19)18-9-11-8-7-10(2)20-11/h4-8,17H,3,9H2,1-2H3,(H,18,19)
InChIKeyPBYBPLJQKGWXGY-UHFFFAOYSA-N
XLogP3.09
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide
CID 62649718
2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 62649385
2-(ethylamino)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248048
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62660550
2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731629
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide
CID 62660729

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 62660746) is 2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide is CCNc1c(F)cccc1C(=O)NCc1ccc(C)o1.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is PBYBPLJQKGWXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-3-17-14-12(5-4-6-13(14)16)15(19)18-9-11-8-7-10(2)20-11/h4-8,17H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide?
2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 276.31 g/mol, XLogP of 3.09, 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-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 62660746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).