N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide

C19H19F3N2O3 — CID 156608790

IUPACN-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCN(C(=O)c1cccc(-c2ccc(C(F)(F)F)cn2)c1)C1COCC1O
InChIInChI=1S/C19H19F3N2O3/c1-2-24(16-10-27-11-17(16)25)18(26)13-5-3-4-12(8-13)15-7-6-14(9-23-15)19(20,21)22/h3-9,16-17,25H,2,10-11H2,1H3
InChIKeyZMSHBAYTNOBQRC-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.99
Rot. Bonds4

About N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide

N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 156608790) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID156608790
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCN(C(=O)c1cccc(-c2ccc(C(F)(F)F)cn2)c1)C1COCC1O
InChIInChI=1S/C19H19F3N2O3/c1-2-24(16-10-27-11-17(16)25)18(26)13-5-3-4-12(8-13)15-7-6-14(9-23-15)19(20,21)22/h3-9,16-17,25H,2,10-11H2,1H3
InChIKeyZMSHBAYTNOBQRC-UHFFFAOYSA-N
XLogP2.99
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide (CID 156608790) is N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide is CCN(C(=O)c1cccc(-c2ccc(C(F)(F)F)cn2)c1)C1COCC1O.
What is the InChIKey of N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is ZMSHBAYTNOBQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-2-24(16-10-27-11-17(16)25)18(26)13-5-3-4-12(8-13)15-7-6-14(9-23-15)19(20,21)22/h3-9,16-17,25H,2,10-11H2,1H3.
What are the key properties of N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 380.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 156608790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).