methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride

C10H12ClN5O2 — CID 3037786

IUPACmethyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/CNC(=O)c1ccc(N=[N+]=[N-])cc1)OC
InChIInChI=1S/C10H11N5O2.ClH/c1-17-9(11)6-13-10(16)7-2-4-8(5-3-7)14-15-12;/h2-5,11H,6H2,1H3,(H,13,16);1H/b11-9-;
InChIKeyHPJGGJKSFWMQDX-KSIDEHCFSA-N
MW269.69 g/mol
LogP2.40
Rot. Bonds4

About methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride

methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride (PubChem CID 3037786) has the molecular formula C10H12ClN5O2 and a molecular weight of 269.69 g/mol. Its IUPAC name is methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride
PubChem CID3037786
Molecular FormulaC10H12ClN5O2
Molecular Weight269.69 g/mol
Exact Mass269.07
IUPAC Namemethyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/CNC(=O)c1ccc(N=[N+]=[N-])cc1)OC
InChIInChI=1S/C10H11N5O2.ClH/c1-17-9(11)6-13-10(16)7-2-4-8(5-3-7)14-15-12;/h2-5,11H,6H2,1H3,(H,13,16);1H/b11-9-;
InChIKeyHPJGGJKSFWMQDX-KSIDEHCFSA-N
XLogP2.40
TPSA110.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium
CID 10250562
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
CID 14697250
4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 162038272
4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 86629801
4-azidobenzoic acid;4-azido-N-(3-trimethoxysilylpropyl)benzamide;methanol;3-trimethoxysilylpropan-1-amine
CID 162180891
4-azido-N-(pyridin-2-ylmethyl)benzamide
CID 19609018
4-azido-N-(2-piperidin-1-ylethyl)benzamide
CID 86629800
4-azido-N-ethyl-N-methylbenzamide
CID 150089874
methyl N-(4-azidophenyl)carbamate
CID 142621312
(2-hydroxy-3-methoxypropyl) 4-azidobenzoate
CID 168800402
4-[(4-azidobenzoyl)amino]benzamide
CID 169326653
1-(4-azidophenyl)-2-phenylethane-1,2-dione
CID 89499580

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride?
The IUPAC name of methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride (CID 3037786) is methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride.
What is the SMILES notation for methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride?
The canonical SMILES for methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride is Cl.[H]/N=C(/CNC(=O)c1ccc(N=[N+]=[N-])cc1)OC.
What is the InChIKey of methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride?
The InChIKey is HPJGGJKSFWMQDX-KSIDEHCFSA-N. The full InChI is InChI=1S/C10H11N5O2.ClH/c1-17-9(11)6-13-10(16)7-2-4-8(5-3-7)14-15-12;/h2-5,11H,6H2,1H3,(H,13,16);1H/b11-9-;.
What are the key properties of methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride?
methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride has a molecular weight of 269.69 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride is sourced from PubChem (CID 3037786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).