N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide

C16H13F3N2O3 — CID 30717019

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)c(F)c1F)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13F3N2O3/c17-10-2-3-11(16(19)15(10)18)20-8-14(22)21-9-1-4-12-13(7-9)24-6-5-23-12/h1-4,7,20H,5-6,8H2,(H,21,22)
InChIKeyWDPBWTZJJFYKJB-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.93
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide (PubChem CID 30717019) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide
PubChem CID30717019
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)c(F)c1F)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13F3N2O3/c17-10-2-3-11(16(19)15(10)18)20-8-14(22)21-9-1-4-12-13(7-9)24-6-5-23-12/h1-4,7,20H,5-6,8H2,(H,21,22)
InChIKeyWDPBWTZJJFYKJB-UHFFFAOYSA-N
XLogP2.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-methylsulfonylanilino)acetamide
CID 22305328
2-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26417495
2-(3,4-difluorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7737032
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide
CID 37467922
2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]acetamide
CID 110370533
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79237253
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771944
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 26943463
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide
CID 60702748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide (CID 30717019) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide is O=C(CNc1ccc(F)c(F)c1F)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide?
The InChIKey is WDPBWTZJJFYKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c17-10-2-3-11(16(19)15(10)18)20-8-14(22)21-9-1-4-12-13(7-9)24-6-5-23-12/h1-4,7,20H,5-6,8H2,(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide has a molecular weight of 338.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide is sourced from PubChem (CID 30717019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).