2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

C15H13ClN2O3 — CID 115539984

IUPAC2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H13ClN2O3/c16-11-3-1-2-10(14(11)17)15(19)18-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8H,6-7,17H2,(H,18,19)
InChIKeyGLPSNHYVLYNVON-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.95
Rot. Bonds2

About 2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 115539984) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID115539984
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H13ClN2O3/c16-11-3-1-2-10(14(11)17)15(19)18-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8H,6-7,17H2,(H,18,19)
InChIKeyGLPSNHYVLYNVON-UHFFFAOYSA-N
XLogP2.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 777312
5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 28723038
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
8-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxochromene-3-carboxamide
CID 100794839
3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide
CID 103609811
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 38558640
2-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
CID 2996052
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151458
3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 4198574

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 115539984) is 2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is Nc1c(Cl)cccc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is GLPSNHYVLYNVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-3-1-2-10(14(11)17)15(19)18-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8H,6-7,17H2,(H,18,19).
What are the key properties of 2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has a molecular weight of 304.73 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 115539984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).