N-1,3-Benzodioxol-5-yl-2-((2-chloroacetyl)amino)benzamide
Basic information
- CAS
730949-69-6- Standard SMILES
O=C(CCl)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2- InChIKey
NYZGTUCQLQLOTI-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O4
- Average molar mass
- 332.74 g/mol
- Monoisotopic mass
- 332.0563846
Names & identifiers
- Preferred name
- N-1,3-Benzodioxol-5-yl-2-((2-chloroacetyl)amino)benzamide
- IUPAC
- N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide
- English name
- Benzamide, N-1,3-benzodioxol-5-yl-2-[(2-chloroacetyl)amino]-
- Molecular formula
- C16H13ClN2O4
- Molecular weight
- 332.74
Names & synonyms
730949-69-6N-1,3-Benzodioxol-5-yl-2-[(2-chloroacetyl)amino]benzamideN-1,3-Benzodioxol-5-yl-2-((2-chloroacetyl)amino)benzamideRefChem:362982N-(2H-1,3-benzodioxol-5-yl)-2-(2-chloroacetamido)benzamideN-Benzo[1,3]dioxol-5-yl-2-(2-chloro-acetylamino)-benzamideMLS001018211N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamideN-(1,3-dioxaindan-5-yl)-2-(2-chloroacetamido)benzamideSMR000354424CHEMBL1458858BDBM56745
Show more names
Benzamide, N-1,3-benzodioxol-5-yl-2-[(2-chloroacetyl)amino]-
cid_2393470DTXSID301197512HMS2759K03FEB94969MFCD04621459AKOS000117227EN300-06421G38509
Database identifiers
- CAS
730949-69-6- PubChem CID
- 2393470
- DTXSID
DTXSID301197512- ChEMBL
CHEMBL1458858- EC Number
- 979-254-8
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Boiling point
- 476.2 · 476.2±45.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- pka
- 11.9 · 11.90±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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