methyl 2-[chloro(methoxy)amino]benzoate

C9H10ClNO3 — CID 153305529

IUPACmethyl 2-[chloro(methoxy)amino]benzoate
SMILESCOC(=O)c1ccccc1N(Cl)OC
InChIInChI=1S/C9H10ClNO3/c1-13-9(12)7-5-3-4-6-8(7)11(10)14-2/h3-6H,1-2H3
InChIKeySTTNLOFZOQQZMP-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.99
Rot. Bonds3

About methyl 2-[chloro(methoxy)amino]benzoate

methyl 2-[chloro(methoxy)amino]benzoate (PubChem CID 153305529) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is methyl 2-[chloro(methoxy)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[chloro(methoxy)amino]benzoate
PubChem CID153305529
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Namemethyl 2-[chloro(methoxy)amino]benzoate
SMILESCOC(=O)c1ccccc1N(Cl)OC
InChIInChI=1S/C9H10ClNO3/c1-13-9(12)7-5-3-4-6-8(7)11(10)14-2/h3-6H,1-2H3
InChIKeySTTNLOFZOQQZMP-UHFFFAOYSA-N
XLogP1.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
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methyl 2-[(chloroamino)-ethoxyamino]benzoate
CID 87552435
methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
CID 43409538
methyl 2-[methyl(2-oxopropyl)amino]benzoate
CID 117029506
methyl 2-[methoxycarbonyl(propan-2-yl)amino]benzoate
CID 69003350
methyl 2-(N-(2-chloroacetyl)anilino)benzoate
CID 13170986
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
methyl 2-[propan-2-yl(trifluoromethyl)amino]benzoate
CID 71648199
methyl 2-[methyl(prop-2-enyl)amino]benzoate
CID 60695038
methyl 2-[2-bromopropanoyl(methyl)amino]benzoate
CID 11392410
methyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]benzoate
CID 62025983

Frequently Asked Questions

What is the IUPAC name of methyl 2-[chloro(methoxy)amino]benzoate?
The IUPAC name of methyl 2-[chloro(methoxy)amino]benzoate (CID 153305529) is methyl 2-[chloro(methoxy)amino]benzoate.
What is the SMILES notation for methyl 2-[chloro(methoxy)amino]benzoate?
The canonical SMILES for methyl 2-[chloro(methoxy)amino]benzoate is COC(=O)c1ccccc1N(Cl)OC.
What is the InChIKey of methyl 2-[chloro(methoxy)amino]benzoate?
The InChIKey is STTNLOFZOQQZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-13-9(12)7-5-3-4-6-8(7)11(10)14-2/h3-6H,1-2H3.
What are the key properties of methyl 2-[chloro(methoxy)amino]benzoate?
methyl 2-[chloro(methoxy)amino]benzoate has a molecular weight of 215.64 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[chloro(methoxy)amino]benzoate is sourced from PubChem (CID 153305529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).