3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide

C16H17FN2O3 — CID 78836869

IUPAC3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)CNC(=O)c2cccc(F)c2)o1
InChIInChI=1S/C16H17FN2O3/c1-10-6-7-14(22-10)11(2)19-15(20)9-18-16(21)12-4-3-5-13(17)8-12/h3-8,11H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVPEYWMMHJRFJPP-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.33
Rot. Bonds5

About 3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide

3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 78836869) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide
PubChem CID78836869
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)CNC(=O)c2cccc(F)c2)o1
InChIInChI=1S/C16H17FN2O3/c1-10-6-7-14(22-10)11(2)19-15(20)9-18-16(21)12-4-3-5-13(17)8-12/h3-8,11H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVPEYWMMHJRFJPP-UHFFFAOYSA-N
XLogP2.33
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
methyl 3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]butanoate
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N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
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3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 43703392
2-(4-fluorophenyl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51922977
3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide
CID 78802467
N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide
CID 112997286
N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9481826
3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 107299544

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide (CID 78836869) is 3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide is Cc1ccc(C(C)NC(=O)CNC(=O)c2cccc(F)c2)o1.
What is the InChIKey of 3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is VPEYWMMHJRFJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-10-6-7-14(22-10)11(2)19-15(20)9-18-16(21)12-4-3-5-13(17)8-12/h3-8,11H,9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 304.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 78836869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).