3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide

C15H17FN2O2 — CID 43735801

IUPAC3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide
SMILESCc1ccc(C(C)Nc2cc(C(N)=O)cc(F)c2C)o1
InChIInChI=1S/C15H17FN2O2/c1-8-4-5-14(20-8)10(3)18-13-7-11(15(17)19)6-12(16)9(13)2/h4-7,10,18H,1-3H3,(H2,17,19)
InChIKeyDYACTZTXMLNNJB-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.31
Rot. Bonds4

About 3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide

3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide (PubChem CID 43735801) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide
PubChem CID43735801
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide
SMILESCc1ccc(C(C)Nc2cc(C(N)=O)cc(F)c2C)o1
InChIInChI=1S/C15H17FN2O2/c1-8-4-5-14(20-8)10(3)18-13-7-11(15(17)19)6-12(16)9(13)2/h4-7,10,18H,1-3H3,(H2,17,19)
InChIKeyDYACTZTXMLNNJB-UHFFFAOYSA-N
XLogP3.31
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide?
The IUPAC name of 3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide (CID 43735801) is 3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide is Cc1ccc(C(C)Nc2cc(C(N)=O)cc(F)c2C)o1.
What is the InChIKey of 3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide?
The InChIKey is DYACTZTXMLNNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-8-4-5-14(20-8)10(3)18-13-7-11(15(17)19)6-12(16)9(13)2/h4-7,10,18H,1-3H3,(H2,17,19).
What are the key properties of 3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide?
3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide has a molecular weight of 276.31 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide is sourced from PubChem (CID 43735801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).