2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide

C11H13F3N2O2 — CID 70106440

IUPAC2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide
SMILESCCNc1c(CO)cc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C11H13F3N2O2/c1-2-16-9-6(5-17)3-7(11(12,13)14)4-8(9)10(15)18/h3-4,16-17H,2,5H2,1H3,(H2,15,18)
InChIKeyBUXQOKVGORAVHD-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.73
Rot. Bonds4

About 2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide

2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide (PubChem CID 70106440) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide
PubChem CID70106440
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide
SMILESCCNc1c(CO)cc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C11H13F3N2O2/c1-2-16-9-6(5-17)3-7(11(12,13)14)4-8(9)10(15)18/h3-4,16-17H,2,5H2,1H3,(H2,15,18)
InChIKeyBUXQOKVGORAVHD-UHFFFAOYSA-N
XLogP1.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide (CID 70106440) is 2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide is CCNc1c(CO)cc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide?
The InChIKey is BUXQOKVGORAVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-16-9-6(5-17)3-7(11(12,13)14)4-8(9)10(15)18/h3-4,16-17H,2,5H2,1H3,(H2,15,18).
What are the key properties of 2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide?
2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide has a molecular weight of 262.23 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(hydroxymethyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70106440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).