N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide

C15H19F3N2O5 — CID 70260452

IUPACN-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
SMILESCCOCCCNC(=O)NC(=O)c1cc(O)c(OC)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O5/c1-3-25-6-4-5-19-14(23)20-13(22)9-7-11(21)12(24-2)8-10(9)15(16,17)18/h7-8,21H,3-6H2,1-2H3,(H2,19,20,22,23)
InChIKeyVGCFLVOWOTUXCN-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.29
Rot. Bonds7

About N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide

N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide (PubChem CID 70260452) has the molecular formula C15H19F3N2O5 and a molecular weight of 364.32 g/mol. Its IUPAC name is N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
PubChem CID70260452
Molecular FormulaC15H19F3N2O5
Molecular Weight364.32 g/mol
Exact Mass364.12
IUPAC NameN-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
SMILESCCOCCCNC(=O)NC(=O)c1cc(O)c(OC)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O5/c1-3-25-6-4-5-19-14(23)20-13(22)9-7-11(21)12(24-2)8-10(9)15(16,17)18/h7-8,21H,3-6H2,1-2H3,(H2,19,20,22,23)
InChIKeyVGCFLVOWOTUXCN-UHFFFAOYSA-N
XLogP2.29
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
CID 70261119
4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide
CID 143825452
N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
CID 70258400
3-hydroxy-2-(3-hydroxypropyl)-4-methoxy-N-(propylcarbamoyl)-6-(trifluoromethyl)benzamide
CID 143825463
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide
CID 4006974
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide
CID 108505353
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide
CID 78789004

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide (CID 70260452) is N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide is CCOCCCNC(=O)NC(=O)c1cc(O)c(OC)cc1C(F)(F)F.
What is the InChIKey of N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide?
The InChIKey is VGCFLVOWOTUXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O5/c1-3-25-6-4-5-19-14(23)20-13(22)9-7-11(21)12(24-2)8-10(9)15(16,17)18/h7-8,21H,3-6H2,1-2H3,(H2,19,20,22,23).
What are the key properties of N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide?
N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide has a molecular weight of 364.32 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 70260452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).