3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide

C16H21F3N2O5 — CID 143825463

IUPAC3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide
SMILESCCCNC(=O)NC(=O)c1c(C(F)(F)F)cc(OC)c(O)c1CCCO
InChIInChI=1S/C16H21F3N2O5/c1-3-6-20-15(25)21-14(24)12-9(5-4-7-22)13(23)11(26-2)8-10(12)16(17,18)19/h8,22-23H,3-7H2,1-2H3,(H2,20,21,24,25)
InChIKeyNXFBRDIQXINKOS-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.19
Rot. Bonds7

About 3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide

3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide (PubChem CID 143825463) has the molecular formula C16H21F3N2O5 and a molecular weight of 378.35 g/mol. Its IUPAC name is 3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide
PubChem CID143825463
Molecular FormulaC16H21F3N2O5
Molecular Weight378.35 g/mol
Exact Mass378.14
IUPAC Name3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide
SMILESCCCNC(=O)NC(=O)c1c(C(F)(F)F)cc(OC)c(O)c1CCCO
InChIInChI=1S/C16H21F3N2O5/c1-3-6-20-15(25)21-14(24)12-9(5-4-7-22)13(23)11(26-2)8-10(12)16(17,18)19/h8,22-23H,3-7H2,1-2H3,(H2,20,21,24,25)
InChIKeyNXFBRDIQXINKOS-UHFFFAOYSA-N
XLogP2.19
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide?
The IUPAC name of 3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide (CID 143825463) is 3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide?
The canonical SMILES for 3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide is CCCNC(=O)NC(=O)c1c(C(F)(F)F)cc(OC)c(O)c1CCCO.
What is the InChIKey of 3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide?
The InChIKey is NXFBRDIQXINKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O5/c1-3-6-20-15(25)21-14(24)12-9(5-4-7-22)13(23)11(26-2)8-10(12)16(17,18)19/h8,22-23H,3-7H2,1-2H3,(H2,20,21,24,25).
What are the key properties of 3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide?
3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide has a molecular weight of 378.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 143825463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).