benzamide;ethyl carbonochloridate;hydrochloride

C10H13Cl2NO3 — CID 174390729

IUPACbenzamide;ethyl carbonochloridate;hydrochloride
SMILESCCOC(=O)Cl.Cl.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C3H5ClO2.ClH/c8-7(9)6-4-2-1-3-5-6;1-2-6-3(4)5;/h1-5H,(H2,8,9);2H2,1H3;1H
InChIKeyNNZTXBUNQYUGPS-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.59
Rot. Bonds2

About benzamide;ethyl carbonochloridate;hydrochloride

benzamide;ethyl carbonochloridate;hydrochloride (PubChem CID 174390729) has the molecular formula C10H13Cl2NO3 and a molecular weight of 266.12 g/mol. Its IUPAC name is benzamide;ethyl carbonochloridate;hydrochloride.

Molecular Properties

Compound Namebenzamide;ethyl carbonochloridate;hydrochloride
PubChem CID174390729
Molecular FormulaC10H13Cl2NO3
Molecular Weight266.12 g/mol
Exact Mass265.03
IUPAC Namebenzamide;ethyl carbonochloridate;hydrochloride
SMILESCCOC(=O)Cl.Cl.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C3H5ClO2.ClH/c8-7(9)6-4-2-1-3-5-6;1-2-6-3(4)5;/h1-5H,(H2,8,9);2H2,1H3;1H
InChIKeyNNZTXBUNQYUGPS-UHFFFAOYSA-N
XLogP2.59
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzamide;ethyl carbonochloridate;hydrochloride?
The IUPAC name of benzamide;ethyl carbonochloridate;hydrochloride (CID 174390729) is benzamide;ethyl carbonochloridate;hydrochloride.
What is the SMILES notation for benzamide;ethyl carbonochloridate;hydrochloride?
The canonical SMILES for benzamide;ethyl carbonochloridate;hydrochloride is CCOC(=O)Cl.Cl.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;ethyl carbonochloridate;hydrochloride?
The InChIKey is NNZTXBUNQYUGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C3H5ClO2.ClH/c8-7(9)6-4-2-1-3-5-6;1-2-6-3(4)5;/h1-5H,(H2,8,9);2H2,1H3;1H.
What are the key properties of benzamide;ethyl carbonochloridate;hydrochloride?
benzamide;ethyl carbonochloridate;hydrochloride has a molecular weight of 266.12 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;ethyl carbonochloridate;hydrochloride is sourced from PubChem (CID 174390729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).