N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide

C16H13BrClFN2O3 — CID 46700605

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide
SMILESO=C(CNc1cc(Cl)ccc1F)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C16H13BrClFN2O3/c17-10-6-14-15(24-4-3-23-14)7-12(10)21-16(22)8-20-13-5-9(18)1-2-11(13)19/h1-2,5-7,20H,3-4,8H2,(H,21,22)
InChIKeyMJFJGEFZAXZRHM-UHFFFAOYSA-N
MW415.65 g/mol
LogP4.06
Rot. Bonds4

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide (PubChem CID 46700605) has the molecular formula C16H13BrClFN2O3 and a molecular weight of 415.65 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide
PubChem CID46700605
Molecular FormulaC16H13BrClFN2O3
Molecular Weight415.65 g/mol
Exact Mass413.98
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide
SMILESO=C(CNc1cc(Cl)ccc1F)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C16H13BrClFN2O3/c17-10-6-14-15(24-4-3-23-14)7-12(10)21-16(22)8-20-13-5-9(18)1-2-11(13)19/h1-2,5-7,20H,3-4,8H2,(H,21,22)
InChIKeyMJFJGEFZAXZRHM-UHFFFAOYSA-N
XLogP4.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.65
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565572
2-(5-chloro-2-fluoroanilino)-N-(2,6-difluorophenyl)acetamide
CID 43408880
2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-fluoroaniline
CID 43393710
2-(5-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408884
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide
CID 30717019
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide
CID 36609990
2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 37229265
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,5-dimethylanilino)acetamide
CID 30534293
2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 36916922
2-(5-chloro-2-methylanilino)-N-(2,5-difluorophenyl)acetamide
CID 37479978
2-(2-bromo-4-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 28939364

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide (CID 46700605) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide is O=C(CNc1cc(Cl)ccc1F)Nc1cc2c(cc1Br)OCCO2.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide?
The InChIKey is MJFJGEFZAXZRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFN2O3/c17-10-6-14-15(24-4-3-23-14)7-12(10)21-16(22)8-20-13-5-9(18)1-2-11(13)19/h1-2,5-7,20H,3-4,8H2,(H,21,22).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide has a molecular weight of 415.65 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide is sourced from PubChem (CID 46700605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).