2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

C19H18F3NO4 — CID 45148354

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCCC(Oc1ccc2c(c1)OCO2)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO4/c1-2-15(27-14-6-7-16-17(9-14)26-11-25-16)18(24)23-10-12-4-3-5-13(8-12)19(20,21)22/h3-9,15H,2,10-11H2,1H3,(H,23,24)
InChIKeyUFVMNSJPXBSNKV-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.91
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 45148354) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID45148354
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCCC(Oc1ccc2c(c1)OCO2)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO4/c1-2-15(27-14-6-7-16-17(9-14)26-11-25-16)18(24)23-10-12-4-3-5-13(8-12)19(20,21)22/h3-9,15H,2,10-11H2,1H3,(H,23,24)
InChIKeyUFVMNSJPXBSNKV-UHFFFAOYSA-N
XLogP3.91
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676118
N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133184927
(2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100536953
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenoxy)butanamide
CID 7443270
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28564509
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide
CID 132760630
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenoxy)butanamide
CID 43907223
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]propanoate
CID 166357587
2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide
CID 45148281
[(2S)-1-(benzylamino)-1-oxobutan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 41477330
2-(1,3-benzodioxol-5-yloxy)butanamide
CID 62901253
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 43904877

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (CID 45148354) is 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is CCC(Oc1ccc2c(c1)OCO2)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is UFVMNSJPXBSNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-2-15(27-14-6-7-16-17(9-14)26-11-25-16)18(24)23-10-12-4-3-5-13(8-12)19(20,21)22/h3-9,15H,2,10-11H2,1H3,(H,23,24).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 381.35 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 45148354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).