2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride

C10H12Cl2N2O3 — CID 119275630

IUPAC2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C10H11ClN2O3.ClH/c11-6-3-8-9(16-2-1-15-8)4-7(6)13-10(14)5-12;/h3-4H,1-2,5,12H2,(H,13,14);1H
InChIKeyDLOLMQZUUMIENJ-UHFFFAOYSA-N
MW279.12 g/mol
LogP1.43
Rot. Bonds2

About 2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride

2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride (PubChem CID 119275630) has the molecular formula C10H12Cl2N2O3 and a molecular weight of 279.12 g/mol. Its IUPAC name is 2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride
PubChem CID119275630
Molecular FormulaC10H12Cl2N2O3
Molecular Weight279.12 g/mol
Exact Mass278.02
IUPAC Name2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C10H11ClN2O3.ClH/c11-6-3-8-9(16-2-1-15-8)4-7(6)13-10(14)5-12;/h3-4H,1-2,5,12H2,(H,13,14);1H
InChIKeyDLOLMQZUUMIENJ-UHFFFAOYSA-N
XLogP1.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,3-dimethylbutanamide
CID 39820085
3-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropanamide
CID 55105178
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)octanamide
CID 134045874
5-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
CID 82847981
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958262
2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 37229265
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 43705147
3-[(6-chloro-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 62231463
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 36569963
2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
CID 43703608
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 18121971
2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24568125

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride (CID 119275630) is 2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride is Cl.NCC(=O)Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride?
The InChIKey is DLOLMQZUUMIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3.ClH/c11-6-3-8-9(16-2-1-15-8)4-7(6)13-10(14)5-12;/h3-4H,1-2,5,12H2,(H,13,14);1H.
What are the key properties of 2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride?
2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride has a molecular weight of 279.12 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride is sourced from PubChem (CID 119275630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).