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

C15H13ClN2O3 — CID 28723038

IUPAC5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H13ClN2O3/c16-12-3-1-9(17)7-11(12)15(19)18-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6,17H2,(H,18,19)
InChIKeyCDECUDBDSXKKIZ-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.95
Rot. Bonds2

About 5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 28723038) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID28723038
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H13ClN2O3/c16-12-3-1-9(17)7-11(12)15(19)18-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6,17H2,(H,18,19)
InChIKeyCDECUDBDSXKKIZ-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-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 115539984
3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide
CID 103609811
2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 777312
N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-fluorobenzamide
CID 9191596
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole-2-carboxamide
CID 37167618
2-(4-aminophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 24689811
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxochromene-3-carboxamide
CID 100795033
N-(4-acetylphenyl)-5-amino-2-chlorobenzamide
CID 28723012
8-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxochromene-3-carboxamide
CID 100794839
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 28723038) is 5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is Nc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is CDECUDBDSXKKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-12-3-1-9(17)7-11(12)15(19)18-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6,17H2,(H,18,19).
What are the key properties of 5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
5-amino-2-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 5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 28723038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).