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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Related Compounds

3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide
CID 119073766
3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide
CID 119062713
N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 133268854
(3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol
CID 133113651
2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
CID 58432818
2-amino-N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830326
4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
CID 66247641
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide
CID 91798105
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72939169
(3R)-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-1-oxa-8-azaspiro[4.5]decane
CID 67402669
3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118795094
2-[(4-fluorophenyl)sulfanyl-methylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide
CID 134300350

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).