N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C17H14F3NO4 — CID 102560421

IUPACN-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NOCc1ccc(C(F)(F)F)cc1)C1COc2ccccc2O1
InChIInChI=1S/C17H14F3NO4/c18-17(19,20)12-7-5-11(6-8-12)9-24-21-16(22)15-10-23-13-3-1-2-4-14(13)25-15/h1-8,15H,9-10H2,(H,21,22)
InChIKeyDOBQJRZOCMUFBB-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.09
Rot. Bonds4

About N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 102560421) has the molecular formula C17H14F3NO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID102560421
Molecular FormulaC17H14F3NO4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NOCc1ccc(C(F)(F)F)cc1)C1COc2ccccc2O1
InChIInChI=1S/C17H14F3NO4/c18-17(19,20)12-7-5-11(6-8-12)9-24-21-16(22)15-10-23-13-3-1-2-4-14(13)25-15/h1-8,15H,9-10H2,(H,21,22)
InChIKeyDOBQJRZOCMUFBB-UHFFFAOYSA-N
XLogP3.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2210025
N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 154863799
N-[2-phenyl-2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 69199366
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
(2R)-N-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32578805
(3R)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2344887
N'-(4-ethylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 42889119
(3S)-N'-[4-(trifluoromethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2488522
(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95354893
[2-[2-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinyl]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672108
N-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 19168010
(3R)-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97105696

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 102560421) is N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NOCc1ccc(C(F)(F)F)cc1)C1COc2ccccc2O1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is DOBQJRZOCMUFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4/c18-17(19,20)12-7-5-11(6-8-12)9-24-21-16(22)15-10-23-13-3-1-2-4-14(13)25-15/h1-8,15H,9-10H2,(H,21,22).
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 102560421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).