(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone

C15H11Cl2NO3 — CID 7148513

IUPAC(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone
SMILESNc1cc2c(cc1C(=O)c1ccc(Cl)cc1Cl)OCCO2
InChIInChI=1S/C15H11Cl2NO3/c16-8-1-2-9(11(17)5-8)15(19)10-6-13-14(7-12(10)18)21-4-3-20-13/h1-2,5-7H,3-4,18H2
InChIKeyLPAMVTZADMZQBM-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.58
Rot. Bonds2

About (6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone

(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone (PubChem CID 7148513) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is (6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone
PubChem CID7148513
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone
SMILESNc1cc2c(cc1C(=O)c1ccc(Cl)cc1Cl)OCCO2
InChIInChI=1S/C15H11Cl2NO3/c16-8-1-2-9(11(17)5-8)15(19)10-6-13-14(7-12(10)18)21-4-3-20-13/h1-2,5-7H,3-4,18H2
InChIKeyLPAMVTZADMZQBM-UHFFFAOYSA-N
XLogP3.58
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-difluorophenyl)methanone
CID 43340605
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
6-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl chloride
CID 82632082
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-chlorophenyl)ethanone
CID 43340567
(3-amino-2-chlorophenyl)-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 115937333
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chloro-2-methylphenyl)methanone
CID 82871735
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 81109944
(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477775
4-amino-5-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329838

Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone?
The IUPAC name of (6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone (CID 7148513) is (6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for (6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone?
The canonical SMILES for (6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone is Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1Cl)OCCO2.
What is the InChIKey of (6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone?
The InChIKey is LPAMVTZADMZQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-8-1-2-9(11(17)5-8)15(19)10-6-13-14(7-12(10)18)21-4-3-20-13/h1-2,5-7H,3-4,18H2.
What are the key properties of (6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone?
(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone has a molecular weight of 324.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 7148513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).