N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide

C19H19F3N2O4 — CID 108539901

IUPACN-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O4/c1-12(28-14-8-6-13(25)7-9-14)17(26)23-10-11-24-18(27)15-4-2-3-5-16(15)19(20,21)22/h2-9,12,25H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyDXLLQZFVOOEWTQ-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.72
Rot. Bonds7

About N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide

N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 108539901) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide
PubChem CID108539901
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC NameN-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O4/c1-12(28-14-8-6-13(25)7-9-14)17(26)23-10-11-24-18(27)15-4-2-3-5-16(15)19(20,21)22/h2-9,12,25H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyDXLLQZFVOOEWTQ-UHFFFAOYSA-N
XLogP2.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]benzamide
CID 108539863
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-2-carboxamide
CID 108539927
N-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenoxy)propanamide
CID 56983513
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide
CID 108539918
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331
5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide
CID 108539867
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide (CID 108539901) is N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide is CC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is DXLLQZFVOOEWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-12(28-14-8-6-13(25)7-9-14)17(26)23-10-11-24-18(27)15-4-2-3-5-16(15)19(20,21)22/h2-9,12,25H,10-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide?
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 396.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108539901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).