methyl 2-[(chloroamino)-ethoxyamino]benzoate

C10H13ClN2O3 — CID 87552435

IUPACmethyl 2-[(chloroamino)-ethoxyamino]benzoate
SMILESCCON(NCl)c1ccccc1C(=O)OC
InChIInChI=1S/C10H13ClN2O3/c1-3-16-13(12-11)9-7-5-4-6-8(9)10(14)15-2/h4-7,12H,3H2,1-2H3
InChIKeyYNLDLXWYGDXLOL-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.89
Rot. Bonds5

About methyl 2-[(chloroamino)-ethoxyamino]benzoate

methyl 2-[(chloroamino)-ethoxyamino]benzoate (PubChem CID 87552435) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is methyl 2-[(chloroamino)-ethoxyamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(chloroamino)-ethoxyamino]benzoate
PubChem CID87552435
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Namemethyl 2-[(chloroamino)-ethoxyamino]benzoate
SMILESCCON(NCl)c1ccccc1C(=O)OC
InChIInChI=1S/C10H13ClN2O3/c1-3-16-13(12-11)9-7-5-4-6-8(9)10(14)15-2/h4-7,12H,3H2,1-2H3
InChIKeyYNLDLXWYGDXLOL-UHFFFAOYSA-N
XLogP1.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[chloro(methoxy)amino]benzoate
CID 153305529
methyl 2-(N-(2-chloroacetyl)anilino)benzoate
CID 13170986
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[(2-bromoacetyl)-propylamino]benzoate
CID 21480472
methyl 2-[methyl(2-oxopropyl)amino]benzoate
CID 117029506
methyl 2-[2-hydroxybutyl(methyl)amino]benzoate
CID 62028637
methyl 2-[methyl-(2-methylsulfanylacetyl)amino]benzoate
CID 43423111
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[methyl(prop-2-enyl)amino]benzoate
CID 60695038
methyl 2-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoate
CID 45031055
methyl 2-[methyl(3-oxododecanoyl)amino]benzoate
CID 87566674
methyl 2-[1-cyanopropyl(methyl)amino]benzoate
CID 62027309

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(chloroamino)-ethoxyamino]benzoate?
The IUPAC name of methyl 2-[(chloroamino)-ethoxyamino]benzoate (CID 87552435) is methyl 2-[(chloroamino)-ethoxyamino]benzoate.
What is the SMILES notation for methyl 2-[(chloroamino)-ethoxyamino]benzoate?
The canonical SMILES for methyl 2-[(chloroamino)-ethoxyamino]benzoate is CCON(NCl)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(chloroamino)-ethoxyamino]benzoate?
The InChIKey is YNLDLXWYGDXLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-3-16-13(12-11)9-7-5-4-6-8(9)10(14)15-2/h4-7,12H,3H2,1-2H3.
What are the key properties of methyl 2-[(chloroamino)-ethoxyamino]benzoate?
methyl 2-[(chloroamino)-ethoxyamino]benzoate has a molecular weight of 244.68 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(chloroamino)-ethoxyamino]benzoate is sourced from PubChem (CID 87552435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).